Research & Reviews: A Journal of Drug Design & Discovery
type: channel
description: Research & Reviews: A Journal of Drug Design & Discovery (RRJoDDD) is a print and e-journal focused towards the rapid publication of fundamental research papers on all areas of Drug Design & Discovery. ISSN: 2349-9036 Focus & Scope: Structure based drug design Protein –protein interactions Protein& Peptide drugs QSAR, Molecular Modelling Target based design Pharmacore Modelling Drug synthesis and metabolism Medicinal Chemistry & Pharmacokinetics
language: en
publication name: Research & Reviews: A Journal of Drug Design & Discovery
issn: 2349-9036
copyright: Copyright Transfer and Declaration Form (Please compile this form, sign and send by e-mail and post) Journal Title: Title of the Paper: Corresponding Author’s Information: Name: Address: E-mail: Contact Number: I t is herein agreed that: The copyright to the above-listed unpublished and original article is transferred to STM Journals. This copyright transfer covers the exclusive right to reproduce and distribute the contribution, including reprints, translations, photographic reproductions, microform, electronic form (offline, online), or any other reproductions of similar nature. I/We declare that above manuscript is not published already in part or whole (except in the form of abstract) in any journal or magazine for private or public circulation, and, is not under consideration of publication elsewhere. I/ We warrant(s) that his/her/their contribution is original, except for such excerpts from copyrighted works as may be included with the permission of the copyright holder and author thereof, that it contains no libelous statements, and does not infringe on any copyright, trademark, patent, statutory right, or propriety right of others. I/We will not publish his/her/their above said contribution anywhere else without the prior written permission of the publisher unless it has been changed substantially.I/We also agree to the authorship of the article in the following order:Author(s) Name Signature(s)1. ________________2. ________________3. ________________4. ________________The author(s) agree to the terms of this Copyright Notice, which will apply to this submission if and when it is published by this journal (comments if any to the editor can be added below).
items: Vitamin B12 Deficiencies and its Cure as per Ayurvedic Principle
items: Development and Validation of Simple UV-Spectrophotometric Method of Quantization of Domperidone in Solid Dosage Formulation using Mixed Solvency Concept
items: Embedding High Reliability in Computer Aided Drug Designing by Fault Forecasting Software Fault Tolerance Model
items: Solid Self Nanoemulsifying Tablets: Statistical Optimization by 23 Factorial Designs
items: Zika Virus E-Protein In Silico Approach and Drug Repurposing
items: Prodrugs and Its Types
items: Molecular Docking Study of Curcumin-Sugar Conjugates as Cholesterol Biosynthesis as well as Staphylococcus Aureus Virulence Inhibitor
items: 2D-QSAR Studies on Unsaturated 4-Azasteroids as 5α-reductase Inhibitors
items: A Case Study of Laryngeal Narrowing with Glossopharyngeal Neuritis in Insulin Dependent Diabetes Patient
items: New Drug Approvals and Prohibition during the Mid-Year of 2016
items: In vitro Cytotoxicity of 17-Oxo-5-androsten-3β-yl esters against Liver, Neuroblastoma and Colon Cancer Cell Lines
items: Medicinal Chemistry of Nanoparticles for Cancer Theranostics
items: Semiempirical Modeling and Docking Studies of Pyrrole-2-Carboxaldehyde Schiff Bases
items: QSAR Studies of 3-(4-(3-(Substitutedphenyl) Acryloyl) Phenyl)-2-Substituted phenyl/Phenylthiazolidin-4-ones for Anticancer Activity
items: QSAR Studies on Schiff Bases of Pyrrole-2-Carboxaldehyde for Antimicrobial Activity
items: 2D QSAR Studies on Some Novel 17a-aza-D-Homo Steroids as 5α-Reductase Inhibitors
items: Design, Synthesis and Anticancer Evaluation of Chalcone-thiazolidinone Hybrids
items: A Review on Analgesics: From Natural Sources
items: Recent Trends in Drug Repositioning for Discovery of New Anticancer Drugs
items: Effect of Polyherbal Compound (Low Cost) in Management of Insulin Dependent Diabetes Mellitus
items: In-Silico Design and Study of Novel Tetrahydro-β-Carbolines as Inhibitor of HIV-1 Reverse Transcriptase
items: Regulatory Requirement for Supergenerics in Saudi Arabia, Brazil and Malaysia
items: Estimation of Amoxicillin Trihydrate and Ciprofloxacin Hydrochloride from Different Marketed Brands of Tablets by UV Spectroscopy
items: Management of Geriatric Disease vis-à-vis Sahaj Vyadhis through Ayurveda
items: 1,2,3,4-Tetrahydroquinoline: A Versatile Nucleus in the New Millennium

Vitamin B12 Deficiencies and its Cure as per Ayurvedic Principle
type: item
description: Abstract Now a day the problem vitamin B12 is found in large quantity. And people are taking treatment such as injections of vitamin B12 or taking tablets course of vitamin B12, according to the prevailing medical system. But, the disease does not extinguish it completely. Why does not the disease cure completely? What should be proper line of treatment?– In present article, I have tried to give the answers to these questions. Keywords: Vitamin B12, micronutrient, significant Cite this Article Vd. Jagrut A. Patel. Vitamin B12 Deficiencies and its Cure as per Ayurvedic Principle. Research & Reviews: A Journal of Drug Design & Discovery. 2017; 4(2): 17–18p.
subject: Short Articles
  topic: section
creator: Vd. Jagrut A. Patel
rights: Copyright (c)
date: 2017-10-13
publication date: 2017-10-13
starting page: 17
ending page: 18

Development and Validation of Simple UV-Spectrophotometric Method of Quantization of Domperidone in Solid Dosage Formulation using Mixed Solvency Concept
type: item
description: Abstract Organic solvents are most frequently employed in spectrophotometric analyses. They may be the sources of pollution. Some of them may be toxic, while others may be costlier. Volatility may be a source of inaccuracy in spectrophotometric estimations. In the present investigation, it was proposed to solubilize Domperidone by the use of mixed solvency concept. Domperidone shows maximum absorbance in the concentrations range of 10–50µg/ml at 287 nm. Method of analyses had been validated for different parameters like linearity, accuracy, precision, limit of detection (LOD) and limit of quantification (LOQ). The analytical method was found to be simple, safe (free from toxicity), economic and eco-friendly. Keywords: Domperidone, UV-Spectrophotometry, solid dosage formulation, mixed solvency concept Cite this Article Sanjay Jain, R.K. Maheshwari, Rajesh Kumar Nema et al. Development and Validation of Simple UV-Spectrophotometric Method of Quantization of Domperidone in Solid Dosage Formulation using Mixed Solvency Concept. Research & Reviews: A Journal of Drug Design & Discovery. 2017; 4(2): 19–23p.
subject: Research Articles
  topic: section
creator: Sanjay Jain
creator: R. K. Maheshwari
creator: Rajesh Kumar Nema
creator: Indrajeet Singhvi
rights: Copyright (c)
date: 2017-10-13
publication date: 2017-10-13
starting page: 19
ending page: 23

Embedding High Reliability in Computer Aided Drug Designing by Fault Forecasting Software Fault Tolerance Model
type: item
description: <!-- p { margin-bottom: 0.25cm; direction: ltr; color: rgb(0, 0, 0); line-height: 120%; }p.western { font-family: "Calibri",sans-serif; font-size: 11pt; }p.cjk { font-family: "Times New Roman",serif; font-size: 11pt; }p.ctl { font-family: "Times New Roman",serif; font-size: 11pt; }a:visited { color: rgb(149, 79, 114); }a.western:visited { }a.cjk:visited { }a.ctl:visited { }a:link { color: rgb(0, 0, 153); font-weight: normal; } --> Abstract Reliability and fault free environment is always a key important factor in any computer aided system. The one key factor is software fault. Faults can be reside and arise anywhere anytime though it is very well tested. In life critical systems/applications, fault must be tolerated at any cost.. Drug discovery and development are very time and resources consuming processes. It is very challenging era for today’s market. Computational techniques to the combined chemical and biological space with the purpose of simplify drug discovery, design, development and optimization. In this research, Software fault tolerance is adopted with drug designing for high reliability. Computational tools and techniques are very popular in pharmaceutical industry to increase the efficiency of drug discovery and development process. Software fault tolerance has many techniques to achieve high reliability in any system. These techniques generally base on diversy fundamentals. Such diversy works on data, specification, design, component, environment and resource. The diversity approach works better for high reliability when we ensure that diversity is applicable to all possible components. There are many alternatives, out which at least one alternate option would be execute and take responsibility of fault handling. Firstly, it introduces software fault tolerance techniques and drug designing procedures. This research focuses on a high reliability in computer aided drug designing by fault forecasting SFT Model. The proposed SFT model includes feasible stu…
subject: Research Articles
  topic: section
creator: Jigna B. Prajapati
creator: Bhupendra G. Prajapati
rights: Copyright (c)
date: 2017-10-13
publication date: 2017-10-13
starting page: 24
ending page: 29

Solid Self Nanoemulsifying Tablets: Statistical Optimization by 23 Factorial Designs
type: item
description: Abstract The objective of the current research was to enhance the solubility of poorly water soluble drug i.e. atorvastatin calcium, by self nanoemulsifying drug delivery system (SES) and formulating it as tablets using 23 factorial designs. The prepared liquid SES were adsorbed onto aerosil which acts as carrier. The 23 factorial designs were employed to optimize the concentration of micro-crystalline cellulose, PVP and sodium starch glycollate. The observed values were in close agreement with the predicted values thereby validating the feasibility of the optimization procedure in developing self nanoemulsifying tablets. The drug release of the S SES and marketed product were 97.5 and 32.7%, respectively. This confirms that the solubility of the drug has been increased leading to increase in the bioavailability of atorvastatin calcium. Keywords: Self nanoemulsifying drug delivery system, 23 factorial designs, bioavailability Cite this Article Panner Selvam R, Kulkarni PK, Iswar Hazarika et al. Solid Self Nanoemulsifying Tablets Statistical Optimization by 23 Factorial Designs. Research & Reviews: A Journal of Drug Design & Discovery. 2017; 4(2): 1–7p.
subject: Research Articles
  topic: section
creator: Panner Selvam R.
creator: P. K. Kulkarni
creator: Iswar Hazarika
creator: Anusha Sudulaguntla
creator: Vineeth Chandy
rights: Copyright (c)
date: 2017-10-12
publication date: 2017-10-12
starting page: 1
ending page: 7

Zika Virus E-Protein In Silico Approach and Drug Repurposing
type: item
description: Abstract The mosquito borne, one of the flavivirus family, called Zika virus is a positive, single stranded RNA. ZIKV infected humans are affected by neurological disorders, birth defects and other small pain, rash etc. To relieve from these disease, the target protein of ZIKV disease is to be determined. Here, the envelope protein is taken as a target to prevent Zika virus entry in to the cells. 3D structure of ZIKV deposited in the PDB (5ire) is used as the receptor. The FASTA sequence of 5ire is retrieved and modelled to get a good quality structure. Drugs that have potential effect on the target protein are to be studied. In previous research, many drugs were developed for flavivirus disease and used as antivirals and inhibitors. These drugs that are capable of inhibiting the viral entry and the replication process are to be studied. Amodiaquine (AQ), Chloroquine (CQ), Umifenovir, Catenospermine (CAT) and Deoxydojrimycin (DNJ) are used as the drug targets for the envelope (E) protein of various viral diseases like, dengue fever, influenza, west nile virus, Japanese encephalitis virus etc. These drugs are repurposed to study the activity against the ZIKV envelope protein, in the current study. Structure based ligand docking is used to determine the binding site of the protein. Keywords: BLAST, Modeller 9.16, Procheck, Rampage, Ligplot, Zinc pharmer, Auto dock 4.0 Cite this Article Sameer C, Tanvee AP, Nivedha A. Zika Virus E-Protein In Silico Approach and Drug Repurposing. Research & Reviews: A Journal of Drug Design & Discovery. 2017; 4(2): 8–16p.
subject: Research Articles
  topic: section
creator: C. Sameer
creator: A. P. Tanvee
creator: A. Nivedha
rights: Copyright (c)
date: 2017-10-12
publication date: 2017-10-12
starting page: 8
ending page: 16

Prodrugs and Its Types
type: item
description: In this study, description of prodrugs is given. Prodrugs are biologically inactive agents that upon biotransformation in vivo result in active drug molecules. Inactive prodrugs are pharmacologically inactive medications that are metabolized into an active form within the body. Depending upon the functional group, used to design the produrg, present in the parent drug, the pro drugs can be classified so many ways, which are given in this study. Keywords: Prodrugs, bioavailability, biotransformation, gastrointestinal tract Cite this Article Jyoti Garg. Prodrugs and Its Types. Research & Reviews: A Journal of Drug Design & Discovery. 2017; 4(1): 1–8p.
subject: Review Articles
  topic: section
creator: Jyoti Garg
rights: Copyright (c)
date: 2017-03-04
publication date: 2017-03-04
starting page: 1
ending page: 8

Molecular Docking Study of Curcumin-Sugar Conjugates as Cholesterol Biosynthesis as well as Staphylococcus Aureus Virulence Inhibitor
type: item
description: Abstract Methicillin resistant Staphylococcus Aureus infections are the major concern in both, communities as well as in clinics. Presqualene diphosphate is the key molecule obtained from farnesyl diphosphate for the biosynthesis of staphylophyloxanthin which is responsible for the virulence of Staphylococcus Aureus as well as for cholesterol biosynthesis in humans. We designed some natural curcumin-sugar conjugates that binds to the protein associated with the formation of presqualene diphosphate and inhibit it, thus showing dual role by inhibiting staphylococcus aureus virulence and also helps in lowering cholesterol formation in humans. Keywords: Staphylococcus aureus, curcumin, docking, iGEMDOCK, AutoDOCK, AutoDockVina Cite this Article Ruchika Goyal, Sandeep Jain. Molecular Docking Study of Curcumin-Sugar Conjugates as Cholesterol Biosynthesis as well as Staphylococcus Aureus Virulence Inhibitor. Research & Reviews: A Journal of Drug Design & Discovery. 2017; 4(1): 15–21p.
subject: Research Articles
  topic: section
creator: Ruchika Goyal
creator: Sandeep Jain
rights: Copyright (c)
date: 2017-05-31
publication date: 2017-05-31
starting page: 15
ending page: 21

2D-QSAR Studies on Unsaturated 4-Azasteroids as 5α-reductase Inhibitors
type: item
description: Abstract Dihydrotestosterone (DHT) a major circulating male hormone is produced by NADPH dependent enzyme 5α-reductase (5 alpha R) and has been found to be causative agent in the development of pathological condition i.e. benign prostate hyperplasia (BPH). Thus inhibition of 5α-reductase enzyme represents a novel target in the treatment of BPH. Present study describes the relationship between the 5α-Reductase inhibitory activity for structurally related unsaturated 4-azasteroids derivatives and their physicochemical descriptors in quantitative terms. Using Vlife molecular design suits (MDS), LOO validated 2D-QSAR model has been developed with statistical data r2 = 0.8706, q2 =0.7122 , F = 14.5758, pred r2 = 0.7441. Descriptor with positive and negative correlation with the biological activity has been highlighted. This validated 2D-QSAR model may be used to design 5α-Reductase derivatives with better inhibitory properties. Graphical Abstract pIC50 = +0.0094(Quadrupole1)-0.2285(SssCH2E-index)-0.3929(chi4pathCluster)-0.0724(5PathCount)+0.0240(SA Hydrophilic Area)+5.3457(Id Average)-0.23550 Keywords: Dihydrotestosterone, benign prostatic hyperplasia, 5α-reductase inhibitors, 2D-QSAR, regression analysis, 4-azasteroids Cite this Article Priyanka Rana, Richa Dhingra, Monika et al. 2D-QSAR Studies on Unsaturated 4-Azasteroids as 5α-Reductase Inhibitors. Research & Reviews: A Journal of Drug Design & Discovery. 2017; 4(1): 26–37p.
subject: Research Articles
  topic: section
creator: Priyanka Rana
creator: Richa Dhingra
creator: Monika .
creator: Neelima Dhingra
rights: Copyright (c)
date: 2017-05-31
publication date: 2017-05-31
starting page: 26
ending page: 37

A Case Study of Laryngeal Narrowing with Glossopharyngeal Neuritis in Insulin Dependent Diabetes Patient
type: item
description: Abstract Neuritis is a very common complication met in with chronic diabetics. Commonly, peripheral nerves are involved but involvement of cranial nerves is not a common phenomenon. Involvement of cranial nerves or autonomic nerves may produce serious medical emergency that requires prompt management for life saving followed by long term control management. Such a case of insulin dependent diabetes mellitus with laryngeal narrowing and glossopharyngeal neuritis was met in a clinical practice, managed with ayurvedic medicines. Insulin was continued as per medical opinion. Patient was managed with ayurvedic anti-diabetics and neuroprotective medicaments. Patient presented with characteristic signs of chocking, wheezing, breathlessness on little execration, stupor-occasional, non-productive coughing, etc. Scope reports indicated severe laryngeal narrowing; RBS was 450 mg/dl, and all other reports were within physiological range. Provisional diagnosis was established as Apkarshanja Madhumeha Vyapada, considering Acharya Charaka’s opinion that Apakarshana in Madhumeha leads to Gulma (abdominal mass), Kshya (pthysis), Mehanshoola (UTI), Bastishoola, Mutragraha (retention of urine), and other complications may occur due to Apakarshana. Thus treatment was planned with objectives of glycaemic control with herbal drugs, arresting neurological complications with neuroprotective ayurvedic medicaments, controlling symptoms of patient with medicines or simple therapeutic procedures. Patient responded well with treatment, marked clinical improvement was observed within a month of treatment, good glycaemic control with insulin (dosage was declined to half post a year of treatment, good control was observed in HbA1c). Chest signs were negative and reduction in narrowing of larynges was observed after year of treatment. Details of patient and approach to patient would be discussed in full paper. Keywords: Diabetes mellitus, Apkarshanja Madhumeha, Bastishoola, Mehanshoola Cite this Ar…
subject: Case Study
  topic: section
creator: Nishant Shukla
rights: Copyright (c)
date: 2017-05-31
publication date: 2017-05-31
starting page: 9
ending page: 14

New Drug Approvals and Prohibition during the Mid-Year of 2016
type: item
description: Abstract Every day drugs are being approved by various drug controlling authorities, for treating ailments and for improvising health care. USFDA, CDER and CDSCO (Central Drugs Standard Control Organization) play major role in controlling the drug usage in India, to ensure the safety and efficacy of the treatments. In India most of the OTC products has been banned and this review helps in simplifying the list of the drugs banned and newly approved in the year 2016. Keywords: Drug approval in 2016, drugs banned in 2016, Fixed dose combinations banned Cite this Article Nisha Shri C., Vineeth Chandy, Preethi Shree C. et al. New Drug Approvals and Prohibition during the Mid-Year of 2016. Research & Reviews: A Journal of Drug Design & Discovery. 2017; 4(1): 22–25p.
subject: Review Articles
  topic: section
creator: Nisha Shri C.
creator: Vineeth Chandy
creator: Preethi Shree C.
creator: Balaji J.
rights: Copyright (c)
date: 2017-05-31
publication date: 2017-05-31
starting page: 22
ending page: 25

In vitro Cytotoxicity of 17-Oxo-5-androsten-3β-yl esters against Liver, Neuroblastoma and Colon Cancer Cell Lines
type: item
description: Abstract A tumor is abnormal growth of body tissue and steroidal derivatives represent a distinct class of antineoplastic agents. Positioning of the oxo group on the parental steroid skeleton has significant effect on the antineoplastic activity profile of the compounds. Recent work from our laboratory has also demonstrated the effectiveness of 17-oxo-5-androsten-3β-yl ester derivatives as potential antiproliferative agents and 5-alpha reductase inhibitors. The current study was undertaken to investigate the cytoxicity using sulforhodamine B dye (SRB ) assay of the synthesized derivative against six more human cancer cell lines at the 1X 10-5 m (single dose). Keywords: Cytotoxicity, Human cancer cell lines, Steroids, Sulphorodamine B6 Cite this Article Neelima Dhingra. In vitro cytotoxicity of 17-Oxo-5-androsten-3β-yl esters against liver, neuroblastoma and colon cancer cell lines. Research & Reviews: A Journal of Drug Design & Discovery. 2016; 3(3): 23–27p.
subject: Research Articles
  topic: section
creator: Neelima Dhingra
rights: Copyright (c)
date: 2017-01-20
publication date: 2017-01-20
starting page: 23
ending page: 27

Medicinal Chemistry of Nanoparticles for Cancer Theranostics
type: item
description: Abstract Cancer is a disease in which cells growth is uncontrollable and conventional treatment have a few side effects, for example, nonspecific delivery, unable to enter the center of tumor and absence of solubility. Nanoparticles could directly target disease cells specifically and increased medication localization in tumor cells giving exact cellular uptake. The theranostic nanomedicine can accomplish systemic flow, avoid host resistances and deliver the medication and diagnostic agents at the target site to analyze and treat the tumor at cellular and molecular level; in short it is a combination of therapeutic and diagnostic agent. Gold nanoparticles, quantum dots are used as nanotheranostics. These agents act by passive and active targeting on cancerous cells. Synthesis of nanotheranostic is also discussed. Keywords: Cancer, Nanotheranostics, Quantum dots, Gold nanoparticle Cite this Article Sandip Zine, Sarita Kunchikorve, Pooja Dubey. Medicinal Chemistry of Nanoparticles for Cancer Theranostics. Research & Reviews: A Journal of Drug Design & Discovery. 2016; 3(3): 28–41p.
subject: Review Articles
  topic: section
creator: Sandip Zine
creator: Sarita Kunchikorve
creator: Pooja Dubey
rights: Copyright (c)
date: 2017-01-20
publication date: 2017-01-20
starting page: 28
ending page: 41

Semiempirical Modeling and Docking Studies of Pyrrole-2-Carboxaldehyde Schiff Bases
type: item
description: Abstract Docking stimulation of antimicrobial compound SB7 against the active site of Mandelate racemase has been accomplished. This compound was engaged in various types of interactions with the binding site residues. Further, molecular modeling of all the target compounds was performed using MOPAC 2016 and various parameters were identified. SB1, SB2 and SB5 were found to be most stable compounds and had highest dipole moment. The compound SB8 came out to be most nucleophilic compound while SB10 was least electrophilic. Electrostatic potential surface of all the compounds has also been computed. Keywords: Schiff bases, antimicrobial, docking, MOPAC, PM7 Cite this Article Ashwani Kumar, Pardeep Kumar, Parvin Kumar. Semiempirical Modeling and Docking Studies of Pyrrole-2-Carboxaldehyde Schiff Bases. Research & Reviews: A Journal of Drug Design & Discovery. 2016; 3(3): 9–15p.
subject: Research Articles
  topic: section
creator: Ashwani Kumar
creator: Pardeep Kumar
creator: Parvin Kumar
rights: Copyright (c)
date: 2017-01-02
publication date: 2017-01-02
starting page: 9
ending page: 15

QSAR Studies of 3-(4-(3-(Substitutedphenyl) Acryloyl) Phenyl)-2-Substituted phenyl/Phenylthiazolidin-4-ones for Anticancer Activity
type: item
description: Abstract Both, Chalcone and 4-thiazolidinone, are therapeutically significant organic moieties with anticancer activities. QSAR (Quantitative structure–activity relationship) studies of ten synthesized chalcone-thiazolidinone hybrids have been described for anticancer activity against three cancer cell lines: A-549 (Human lung adenocarcinoma), U-87 MG (Human glioblastoma cancer cells) and COLO-205 (Human colon cancer cells). The developed linear QSAR models have significant statistical quality showing good fitting ability and robustness. The Q2 and R2 values of all the described models were more than 0.5 which corroborated the internal predictive ability of the resultant QSAR equations. Wlambda3.mass, SC-3, FNSA-3, BCUTp-1l, Wlambda1.unity descriptors were imperative in elucidation of anticancer activity trends. Keywords: Chalcone-thiazolidinone hybrids, anticancer activity, cell lines, QSAR Cite this Article Ashwani Kumar, Ruchika Goyal, Sunil Kumar et al. Qsar Studies of 3-(4-(3-(Substitutedphenyl) Acryloyl) Phenyl)-2-Substituted Phenyl/Phenylthiazolidin-4-Ones for Anticancer Activity. Research & Reviews: A Journal of Drug Design & Discovery. 2016; 3(3): 16–22p.
subject: Research Articles
  topic: section
creator: Ashwani Kumar
creator: Ruchika Goyal
creator: Sunil Kumar
creator: Sandeep Jain
creator: Parvin Kumar
rights: Copyright (c)
date: 2017-01-20
publication date: 2017-01-20
starting page: 16
ending page: 22

QSAR Studies on Schiff Bases of Pyrrole-2-Carboxaldehyde for Antimicrobial Activity
type: item
description: Abstract Pyrrole and Schiff bases are therapeutically significant organic moieties. QSAR (Quantitative structure-activity relationship) studies of thirteen pyrrole-2-carboxyaldehyde Schiff bases have been described for antimicrobial activity against S. epidermidis, E. coli and S. aureus. Described 2D QSAR models are statistically significant models with good fitting ability and robustness. The Q2 value is more than 0.5 for all discussed models which confirms the internal predictive power of the derived QSAR equations. Molecular weight, autocorrelation descriptors and burden modified eigenvalues descriptors were important in explanation of antimicrobial activity trends. Keywords: Schiff bases, antimicrobial, QSAR, descriptors Cite this Article Ashwani Kumar, Pardeep Kumar, Parvin Kumar. Qsar Studies on Schiff Bases of Pyrrole-2-Carboxaldehyde for Antimicrobial Activity. Research & Reviews: A Journal of Drug Design & Discovery. 2016; 3(3): 1–8p.
subject: Research Articles
  topic: section
creator: Ashwani Kumar
creator: Pardeep Kumar
creator: Parvin Kumar
rights: Copyright (c)
date: 2017-01-02
publication date: 2017-01-02
starting page: 1
ending page: 8

2D QSAR Studies on Some Novel 17a-aza-D-Homo Steroids as 5α-Reductase Inhibitors
type: item
description: Abstract The major circulating hormone dihydrotestosterone (DHT) is responsible for the development and progression of benign prostate hyperplasia (BPH). Dihydrotestosterone (DHT) is by produced by NADPH dependent reduction of testosterone (T) under the catalytic effect of the enzyme 5α-reductase (5 alpha R). Inhibition of 5α-reductase enzyme is the novel approach for treatment of BPH. Present work describes relationship between the 5α-reductase inhibitory activity for structurally related amides and esters of 17a-Aza-D-Homo-17-one derivatives and their physicochemical descriptors in quantitative terms. The statistically validated two-dimensional quantitative structure activity relationship (2D QSAR) model has been obtained through partial least squares (PLS) analysis method using Vlife molecular design suits (MDS). Statistical data of model 3 (r2 = 0.8860, q2 =0.7096; F = 44.023, pred r2 = 0.6884) correlated with human 5α-reductase inhibitory activity. Validation was done with LOO method. Model has included and highlighted the positive and negative correlation of four descriptors with the biological activity. This validated 2D QSAR model may be used to design 5α-reductase derivatives with better inhibitory properties. Graphical Abstract Keywords: Dihydrotestosterone, benign prostatic hyperplasia, 5α-reductase inhibitors, 2D-QSAR, regression analysis; 17a-aza-steroids Cite this Article Richa Dhingra, Manav Malhotra, T.R. Bhardwaj, Neelima Dhingra. 2D QSAR Studies on Some Novel 17a-aza-D-Homo Steroids as 5α-Reductase Inhibitors. Research & Reviews: A Journal of Drug Design & Discovery. 2016; 3(2): 1–14p.
subject: Research Articles
  topic: section
creator: Richa Dhingra
creator: Manav Malhotra
creator: T. R. Bhardwaj
creator: Neelima Dhingra
rights: Copyright (c)
date: 2016-08-11
publication date: 2016-08-11
starting page: 1
ending page: 14

Design, Synthesis and Anticancer Evaluation of Chalcone-thiazolidinone Hybrids
type: item
description: Abstract A small series of chalcone-thiazolidinone hybrids has been designed, synthesized in good yield and evaluated for anticancer activity on the three cell lines A-549, U-87 and COLO-205. All the compounds showed significant cytotoxic effect in micromolar range on the three cell lines. Compounds CT8 and CT6 were found to be the most potent on A-549 and COLO-205 (IC50 = 38.89 µM and 52.23 µM), respectively. Keywords: Chalcone-thiazolidinone, cytotoxic, anticancer activity Cite this Article Kumar A, Goyal R, Kumar S. Design, Synthesis and Anticancer Evaluation of Chalcone-thiazolidinone Hybrids. Research & Reviews: A Journal of Drug Design & Discovery. 2016; 3(2): 23–30p.
subject: Research Articles
  topic: section
creator: A. Kumar
creator: R. Goyal
creator: S. Kumar
rights: Copyright (c)
date: 2016-09-17
publication date: 2016-09-17
starting page: 23
ending page: 30

A Review on Analgesics: From Natural Sources
type: item
description: Any group of drugs of diverse chemical structure and physiological effects which are commonly used for the relief of pain. To qualify as an analgesic a drug must selectively reduce or abolish pain without causing impairment of consciousness, mental confusion, incoordination or paralysis, or other derangements of the nervous system. Opium is the best-known class of narcotic alkaloid analgesics, a drug obtained by extracting the juice of the poppy seed, and its most active alkaloid, morphine. Beside these their use as analgesic drugs, opiates have other biological effects such as sedation, pupillary constriction, suppression of cough reflex, respiratory depression, reduction of intestinal motility, impairment of segmental flexor reflexes, and decrease in body temperature. Another class of analgesic drugs, which are non-addictive, are the salicylates, the most common name are acetylsalicylic acid (aspirin), and salicylate like drugs such as phenylbutazone (Butazolidine), indomethacin (Indocin), acetaminophen, and phenacetin. These drugs are most effective in relieving skeletal pain due to inflammation (such as arthritis). These drugs also have many other effects, such as reducing fever (antipyrexia) and preventing platelet agglutination. This review gives an idea for analgesics which obtained from different natural sources. Key Words: Natural Analgesics, Opium, biological effects, Fever.
subject: Review Articles
  topic: section
creator: Arabinda Nayak
rights: Copyright (c)
date: 2016-09-17
publication date: 2016-09-17
starting page: 15
ending page: 22

Recent Trends in Drug Repositioning for Discovery of New Anticancer Drugs
type: item
description: Abstract Drug repositioning the process of finding new uses of existing drugs, has been gaining popularity in recent years. The availability of several established clinical drug libraries and rapid advances in disease biology, genomics and bioinformatics has accelerated the pace of both activity-based and in silico drug repositioning. Drug repositioning has attracted particular attention from the communities engaged in anticancer drug discovery due to the combination of great demand for new anticancer drugs and the availability of a wide variety of cell- and target-based screening assays. With the successful clinical introduction of a number of non-cancer drugs for cancer treatment, drug repositioning now became a powerful alternative strategy to discover and develop novel anticancer drug candidates from the existing drug space. In this review, recent successful examples of drug repositioning for anticancer drug discovery from non-cancer drugs will be discussed. Key words: drug repositioning, anticancer drugs, genomics, drug discovery
subject: Review Articles
  topic: section
creator: Shipra Senger
rights: Copyright (c)
date: 2016-09-17
publication date: 2016-09-17
starting page: 35
ending page: 38

Effect of Polyherbal Compound (Low Cost) in Management of Insulin Dependent Diabetes Mellitus
type: item
description: Abstract Diabetes mellitus is chronic ailment associated with life threating target organ damage. The present approach of treatment is to maintain glycaemic level within physiological normal level with different means, which may favour angiopathic changes even with normal blood sugar. Ayurveda believes that Medas i.e. lipid metabolism is important pathological change observed in DM that ends up presentation of elevated level of peripheral blood sugar. The quest is to come with cost effective, natural means to have better glycaemic control and reducing the effect of target organ damage i.e. arresting complications of DM; i.e. neuropathy, renal impairment, cardiomyopathy, retinopathy, etc. Ayurveda with its holistic approach can offer all objectives above. Ayurvedic drug has been time tested and known to produce only goodies and has practically no adverse drug reaction. In this paper, four cases have been presented that have shown marked improvement. Keywords: Diabetes mellitus, renal impairment, cardiomyopathy, retinopathy Cite this Article Nishant Shukla. Effect of Polyherbal Compound (Low Cost) in Management of Insulin Dependent Diabetes Mellitus. Research & Reviews: A Journal of Drug Design & Discovery. 2016; 3(2): 31–34p.
subject: Case Study
  topic: section
creator: Nishant Shukla
rights: Copyright (c)
date: 2016-09-17
publication date: 2016-09-17
starting page: 31
ending page: 34

In-Silico Design and Study of Novel Tetrahydro-β-Carbolines as Inhibitor of HIV-1 Reverse Transcriptase
type: item
description: Abstract In the present study, we have designed 50 novel tetrahydro-β-carboline derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase. Docking studies of designed analogs were performed by molecular modeling software AutoDock 4.2 using HIV-1 reverse transcriptase (PDB ID: 1RT2) as receptor. Lipinski rule of five parameters and toxicity parameters were derived through online servers Molinspiration and Osiris property explorer respectively. Docking parameters such as binding free energy and predicted inhibitory constant (Ki) values of designed analogs were compared with standard drug Efavirenz and TNK-651. Among the designed analogs, TBB-III-29, TBB-III-33, TBB-III-39, TBB-III-42, TBB-III-44, TBB-III-45, TBB-III-46, TBB-III-49 and TBB-III-50 showed significant binding free energy and predicted inhibitory constants with that of standard drug Efavirenz and TNK-651. These results also indicate that, the designed analogs adopt a similar orientation and share the same binding mode as that of some classical non-nucleoside reverse transcriptase inhibitors (NNRTIs) within the active site of non-nucleoside inhibitory binding pocket (NNIBP) of HIV-1 reverse transcriptase. Keywords: AIDS, HIV-1 reverse transcriptase, docking, molecular properties, tetrahydro-β-carboline Cite this Article Ashok Penta, Subhash Chander, Sankaranarayanan Murugesan. In-Silico Design and Study of Novel Tetrahydro-β-Carbolines as Inhibitor of HIV-1 Reverse Transcriptase. Research & Reviews: A Journal of Drug Design & Discovery. 2016; 3(1): 19–30p.
subject: Research Articles
  topic: section
creator: Ashok Penta
creator: Subhash Chander
creator: Sankaranarayanan Murugesan
rights: Copyright (c)
date: 2016-05-20
publication date: 2016-05-20
starting page: 19
ending page: 30

Regulatory Requirement for Supergenerics in Saudi Arabia, Brazil and Malaysia
type: item
description: Abstract Supergeneric is the general form of nomenclature for value-added generics globally, which is coined suitably in different regulatory authorities. The supergeneric form of the medicinal product is one that considers changes, which may not be limited to, form of active substance, therapeutic indications, strength, pharmaceutical form or route of administration. They rely partly of results of preclinical tests and clinical trials of an innovator product and also on new data with appropriate bioavailability and bioequivalence studies. Supergenerics have different regulations in different regions of the globe. In this review, an effort has been made to summarize the requirement for supergeneric in Prototype countries of GCC, BRICS and ASEAN. Keywords: Supergenerics, New Drug, ANVISA, SFDA, BPFK/NPCB Cite this Article Achin Jain, Mudit Dixit, Vasant Samaga et al. Regulatory Requirement for Supergenerics in Saudi Arabia, Brazil and Malaysia. Research & Reviews: A Journal of Drug Design & Discovery. 2016; 3(1): 38–45p.
subject: Review Articles
  topic: section
creator: Jain A
creator: Dixit M
creator: Samaga V
creator: Bairy B G
creator: Dixit R
creator: Venkatesh M P
rights: Copyright (c)
date: 2016-05-20
publication date: 2016-05-20
starting page: 38
ending page: 45

Estimation of Amoxicillin Trihydrate and Ciprofloxacin Hydrochloride from Different Marketed Brands of Tablets by UV Spectroscopy
type: item
description: Abstract In the present work percentage of drug content of Amoxicillin trihyadrate and Ciprofloxacin from the marketed brands of tablets was estimated by UV spectrophotometer. Three different brands of tablets each of Amoxicillin (Mox, Novamox and Erox) and Ciprofloxacin (Cifran, Ciplox and Microflox) are purchased from the retail drug store and all the brands of tablets of Amoxicillin and Ciprofloxacin drug content was estimated from the standard calibration curve of both the drugs in phosphate buffer pH 1.2. Amoxicillin has lambda max of 246.5 nm with beer’s range of 10–40 µg/ml and ciprofloxacin has lambda max of 276 nm with beer’s range of 5–30 µg/ml. Percentage drug content of all the three brands of tablets was estimated from the standard calibration curve of respective drugs. From this work it was concluded that all the brands of tablets of amoxicillin and ciprofloxacin were found to within the standard limits of drug content specifications. Keywords: UV spectroscopy, Amoxicillin trihydrate and Ciprofloxacin Cite this Article Sandeep DS, Narayana CR. Estimation of Amoxicillin Trihydrate and Ciprofloxacin Hydrochloride from Different Marketed Brands of Tablets by UV Spectroscopy. Research & Reviews: A Journal of Drug Design & Discovery. 2016; 3(1): 31–34p.
subject: Research Articles
  topic: section
creator: Sandeep D. S.
creator: Narayana C. R.
rights: Copyright (c)
date: 2016-05-20
publication date: 2016-05-20
starting page: 31
ending page: 34

Management of Geriatric Disease vis-à-vis Sahaj Vyadhis through Ayurveda
type: item
description: Abstract Degenerative diseases are comparable with Sahaj Vyadhis that are observed in patients with advancing age. In recent years average life span has increased to 80 years, this has resulted in problems arising from advancing age i.e., aging disease or degenerative disease. The Sahaj Vyadhis are due to changes in body due to aging, if these changes occur before its usual time prompt management and life style modification is necessary, but in case of timely aging disease no treatment is possible, i.e., radical management has limited role to play but management that improves quality of life is necessary. Rasayana therapy is one such treatment measure that arrest aging or gives quality life in geriatric disease. Details are discussed in this paper. Keywords: Sahaj Vyadhis, Geriatric, Degenerative disease, Ayurveda Cite this Article Nishant Shukla. Management of geriatric disease vis-à-vis Sahaj Vyadhis through Ayurveda. Research & Reviews: A Journal of Drug Design & Discovery. 2016; 3(1): 35–37p.
subject: Review Articles
  topic: section
creator: Nishant Shukla
rights: Copyright (c)
date: 2016-05-20
publication date: 2016-05-20
starting page: 35
ending page: 37

1,2,3,4-Tetrahydroquinoline: A Versatile Nucleus in the New Millennium
type: item
description: Abstract Tetrahydroquinoline nucleus containing molecules are well known for their presence in natural products mainly in alkaloids, which constitute the active class of compounds possessing wide spectrum of biological activities. Tetrahydroquinoline skeleton is often used for the design of several synthetic compounds with diverse pharmacological properties. An immense wide range of pharmacological utility of such nucleus has inspired many synthetic and medicinal chemists to develop novel strategies for their synthesis, which remains an important and challenging task. In the present review, we lay emphasis on the recent advances along with classical methodologies for the direct synthesis of 1,2,3,4-tetrahydroquinoline scaffold mainly using non-heterocyclic moiety as starting material. Apart from the various synthetic methodologies, we also aim to summarize the spectrum of important biological activities like antimicrobial, antiviral, antifungal, antimalarial, antileishmanial, antitubercular, antidiabetic, antithrombotic and anticancer exhibited by 1,2,3,4-tetrahydroquinoline analogues. Keywords: Tetrahydroquinoline, antimicrobial, Povarov reaction, enantioselective, multicomponent Cite this Article Subhash Chander, Ashok Penta, Sankaranarayanan Murugesan. 1,2,3,4-Tetrahydroquinoline: A Versatile Nucleus in the New Millennium. Research & Reviews: A Journal of Drug Design & Discovery. 2016; 3(1): 1–18p.
subject: Review Articles
  topic: section
creator: Subhash Chander
creator: Ashok Penta
creator: Sankaranarayanan Murugesan
rights: Copyright (c)
date: 2016-05-20
publication date: 2016-05-20
starting page: 1
ending page: 18