Dr. Kunal Roy MPharm, PhD

Commonwealth Academic Staff Fellow (2007), AICTE Career Awardee (2003-04), Recipient of DST SERC Fast Track Scheme for Young Scientists (2005)

Reader,

Drug Theoretics and Cheminformatics Lab, Division of Medicinal and Pharmaceutical Chemistry,

Department of Pharmaceutical Technology

Jadavpur University

Kolkata 700 032 (INDIA)

Phone (O): +91-33-2414 6666 Ext. 2455

E-mail : kunalroy_in@yahoo.com , kroy@pharma.jdvu.ac.in

URL : http://www.geocities.com/kunalroy_in, http://www.jadavpur.edu/admin1/kunal%20roy.htm 

Associate Editor, Molecular Diversity (http://www.springeronline.com/journal/11030/)

Member of the Board of Associate Editors for 2002-03, 2004-05 and 2006-07 of the Journal of Indian Chemical Society, Kolkata.

Member of the Indian Editorial Board, Chemistry: An Indian Journal [http://www.tsijournals.com]

Guest Editor, Special Issue of Molecular Diversity (http://www.springeronline.com/journal/11030/) on "Topological Descriptors in Drug Design and Modeling Studies" [Vol. 8, No. 4, 2004]

Guest Editor, Special Issue of Molecular Diversity (http://www.mdpi.org/modi/specialissues.htm) on "Ecotoxicological Modeling and Risk Assessment  Using Chemometric Tools" [Vol. 10, No. 2, 2006]

CAREER AWARDEE (2003-04):  All India Council for Technical Education, New Delhi, India

Recipient of DST FAST TRACK SCHEME for Young Scientists (2005) (Govt. of India)

Recipient of Bioorganic and Medicinal Chemistry Most Cited Paper 2003-2006 Award from Elsevier, Oxford, UK

Recipient of Bioorganic and Medicinal Chemistry Most Cited Paper 2004-2007 Award from Elsevier, Oxford, UK 

Recipient of Commonwealth Acsdemic Staff Fellowship 2007

Research Interests


1. Drug Theoretics and Cheminformatics [Classical QSAR and Statistical Modeling]
a) Exploring QSARs of ligands acting on pharmacologically relevant targets of contemporary interest
b) Modeling of physicochemical properties of organic molecules
c) Exploring QSTRs of chemicals and environmental pollutants
d) Promoting novel extended topochemical atom (ETA) indices

2. Drug Induced Lipid Peroxidation and Its Inhibition with Antioxidants
 

Awards
 

* Awarded  one of the 2003 FIP Development Grants by the International Pharmaceutical
Federation (FIP), The Netherlands.
 

* AICTE Career Award (2003-04)  

* Recipient of DST SERC FAST TRACK Scheme for Young Scientists (2005) (Govt. of India)

Recipient of Bioorganic and Medicinal Chemistry Most Cited Paper 2003-2006 Award (Elsevier, Oxford, UK )

Recipient of Bioorganic and Medicinal Chemistry Most Cited Paper 2004-2007 Award (Elsevier, Oxford, UK )

Recipient of Commonwealth Academic Staff Fellowship 2007

 

 

 

 

 Links
 


List of Publications                                                                                      

Guest Edited Special Issue: Molecular Diversity:Vol. 8, No. 4, 2004
[Special Issue on "Topological Descriptors in Drug Design and Modeling Studies"]
  
Guest Edited Special Issue of Molecular Diversity: Vol. 10, No. 2, 2006  on "Ecotoxicological Modeling and Risk  Assessment Using Chemometric Tools"

Friends
  
Recent publications
 

QSTR with ETA indices 9

QSPR with ETA indices II

QSPR with ETA indices I

Exploring PBR versus CBR binding  selectivity

Ecotoxicological modeling and risk assessment using chemometric tools

QSAR with ETA indices VII

The HIV Entry Inhibitors Revisited

3D-QSAR of adenosine receptor antagonists

QSAR by LFER model of HIV protease inhibitor mannitol derivatives

QSAR of CCR5 receptor antagonists II                                                                             

QSAR of Anti-HIV Thiazolodine Derivatives                 

QSPR with Optimization of Correlation Weights II                                                       

QSAR with ETA indices V                                                                                                    

QSAR of CCR5 Receptor Antagonists                                                                                

QSAR of Melatonin Receptor Antagonists                                                                         

QSAR of Corticosteroids                                                                                                      

QSTR with ETA Indices II                                                                                                      

QSPR with Optimization of Correlation Weights I                                                           

QSTR with ETA Indices I                                                                                                         

QSAR of Adenosine Receptor Antagonists II           

Comparative QSPR I                                                                            

QSAR of Factor Xa Inhibitors I                                                                                        

QSAR of MMP inhibitors                                                                                                 

QSAR of Antimalarials II                                                                                                         

 

                                                                       
 

                                                                     Mail me

 

 Updated on December 12, 2007

Validation of QSAR models  IV

Validation of QSAR models III

Validation of QSAR models II 

Validation of QSAR models I

QSAR with ETA indices VIII

QSAR of CCR5 receptor ligands

QSAR with ETA indices VIII

QSAR with ETA indices VI

QSAR of adenosine receptor antagonists  

QSAR of Anti-HIV Imidazoles

QSAR of SERMs

QSAR of Adenosine Receptor Antagonists  

QSAR with ETA indices IV  

QSAR of Adenosine Receptor Antagonists 3  

QSTR with ETA Indices III  

Classical QSAR of Anti-HIV Compounds

QSAR of Anti-HIV Compounds with E-State Index
 

QSAR of COX inhibitors I

QSPR with TAU Indices

Comparative QSPR II  

QSAR of Factor Xa Inhibitors II  

QSAR of Antimalarials I  

QSAR of Antineoplastics I

QSAR of Antineoplastics II

 

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