Dr. Barun Bhhatarai
- 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.
Phone: Mobile: Fax:
Homepage: eMail: email@example.com
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).