Barun Bhhatarai


Dr. Barun Bhhatarai


University of Insubria

Postal addresse

QSAR Research Unit in Environmental Chemistry and Ecotoxicology
Department of Structural and Functional Biology (DBSF)
University of Insubria, via Dunant 3, 21100, Varese, Italy.


1. CINF-MDL Elsevier Scholarship – 233rd ACS Meeting, Chicago, 2007.
2. Shipley Center for Leadership & Entrepreneurship Teaching Assistance Award, June 2006-June 2008
3. CINF-IO Informatics Scholarship – 231st ACS Meeting, Atlanta, 2006.
4. Chemical Computing Group (CCG) Excellence Award – 230th ACS Meeting, Washington, DC, 2005

Curriculum Vitae

Postdoctoral fellow (FP7 -CADASTER-EU) – Prof. Dr. Paola Gramatica
Department of Structural Biology and Functional, University of Insubria, Varese, Italy
‘QSAR Studies for the prediction of physico- chemical properties, environmental reactivity and toxicity of emerging pollutants: perfluorinated substances, triazoles and benzotriazoles’

Researcher (part-time): April 2008-June 2008 – Dr. Chris French
Advanced Sterilization Products US (ASPUS), Johnson & Johnson Co., Irvine, CA, USA
‘Provide QSAR and other research for the purpose of providing potential candidates for new biocide active molecules’

Cheminformatics (QSAR) Study on HIV-1 Protease Inhibitors. Clarkson University, NewYork, USA. – Dr Rajni Garg
Major: Physical (Computational) Chemistry (minor Biochemistry) Dec 2007 (GPA-3.929)

1. Comparative QSAR Studies of Non-Peptidic HIV Protease Inhibitors. Clarkson
University Potsdam, NY, USA, Dec 2005 (GPA-3.917)
2. Phytochemical and biological screening of different extracts from aerial parts of Tridax procumbens. Major: Organic Chemistry, Tribhuvan University, Nepal.

List of publications

1. Bhhatarai, B. and Garg, R., “Comparative QSAR as a Cheminformatics tool in the design of Dihydropyranone based HIV-1 PIs” Curr. Comp. Aided Drug Design, 4, 283 (2008).
2. Garg, R. and Bhhatarai, B., “Possible allosteric interactions of monoindazole-substituted P2 cyclic urea analogues with wild-type and mutant HIV-1 protease”, J. Comp.-Aided Mol. Design, 22, 737 (2008).
3. Garg, R. and Bhhatarai, B., “QSAR and Molecular modeling studies of HIV protease inhibitors” Topics in Heterocyclic Chemistry, Vol. 3, pp 181-271, Gupta S.P. Ed., (QSAR and Molecular Modeling Studies in Heterocyclic Drugs I), Springer-Verlag, Heidelberg, Germany, 2006. (Book Chapter)
4. Bhhatarai, B. and Garg, R., “From SAR to Comparative QSAR: Role of Hydrophobicity in the design of 4-hydroxy-5,6-dihydropyran-2-ones HIV-1 Protease Inhibitors”, Bioorg. Med. Chem. 13, 4078 (2005).
5. Garg, R. and Bhhatarai, B., “A Mechanistic study of 3-aminoindazole cyclic urea HIV-1 protease inhibitors using comparative QSAR”, Bioorg. Med. Chem. 12, 5819 (2004).