Dr. Alpesh Malde: Difference between revisions
| Line 34: | Line 34: | ||
'''MS (Pharm)''' (Medicinal Chemistry) National Institute of Pharmaceutical Education and Research (NIPER), India 2001 <br> | '''MS (Pharm)''' (Medicinal Chemistry) National Institute of Pharmaceutical Education and Research (NIPER), India 2001 <br> | ||
'''PhD''' (Pharmaceutical Chemistry), Bombay College of Pharmacy, University of Mumbai, India 2006 <br> | '''PhD''' (Pharmaceutical Chemistry), Bombay College of Pharmacy, University of Mumbai, India 2006 <br> | ||
== Positions Previously Held == | |||
'''2003-2006''' <br> | |||
PhD Student, Bombay College of Pharmacy (University of Mumbai) <br> | |||
'''2002-2003''' <br> | |||
Senior Research Fellow, Dept of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Mohali, India <br> | |||
'''2002''' <br> | |||
Chemist, Molecular Modelling and Drug Design Lab, Dr. Reddy’s Research Foundation, Hyderabad, India <br> | |||
'''2000-2001'''<br> | |||
M.S. Student, NIPER, India | |||
== Selected Publications == | == Selected Publications == | ||
| Line 53: | Line 64: | ||
9. Chakraborti AK, Gopalakrishnan B, Sobhi ME, '''Malde AK'''. “3D-QSAR Studies on Thieno[3,2-d]pyrimidines as Phosphodiesterase IV Inhibitors”. Bioorganic & Medicinal Chemistry Letters, 2003, 13 (8), 1403-1408 <br> | 9. Chakraborti AK, Gopalakrishnan B, Sobhi ME, '''Malde AK'''. “3D-QSAR Studies on Thieno[3,2-d]pyrimidines as Phosphodiesterase IV Inhibitors”. Bioorganic & Medicinal Chemistry Letters, 2003, 13 (8), 1403-1408 <br> | ||
== Contact Details == | == Contact Details == | ||
Revision as of 04:07, 15 July 2008
Research Interests
Computational Drug Design
Free Energy (FE) Calculations
Current Projects
FE calculations of Glycogen Phosphorylase inhibitors (antidiabetic agents)
Single step perturbation for virtual screening in fragment-based drug design
FE calculations on Phenylethanolamine N-methyltransferase (PNMT) inhibitors
Research Grants
"Free Energy Perturbation Analysis of glucopyranose analogs as Glycogen Phosphorylase inhibitors Implications for method development and anti-diabetic drug design", 2008, APAC (The Australian Partnership for Advanced Computing), Project n63
“Homology modeling of dihydroorotate dehydrogenase from Plasmodium falciparum for the purpose of designing selective inhibitors”, CSIR (Council of Scientific and Industrial Research, India), 2005-2007
Awards and Fellowships
2006
IBM-Zerner Fellowship, Travel grant from CSIR, India and DST (Department of Science and Technology), India to attend Sanibel Symposium 2006 at Florida, USA
2004-2006
Senior Research Fellowship from CSIR, India
2003-2004
Project Associateship from UGC (Universities Grants Commission), India
2002-2003
Senior Research Fellowship from CSIR, India under NMITLI project on Bioinformatics
2000-2001
UGC Fellowship during M.S. (Pharm) and Gold Medal for M. S. (Pharm)
1999, 2000
Best Student Award during Third and Final year B. Pharm
1996-2000
Scholarships during all four years of B. Pharm, IPA (Indian Pharmaceutical Association) Gold Medal.
Academic
B. Pharm. Bombay College of Pharmacy, University of Mumbai, India 2000
MS (Pharm) (Medicinal Chemistry) National Institute of Pharmaceutical Education and Research (NIPER), India 2001
PhD (Pharmaceutical Chemistry), Bombay College of Pharmacy, University of Mumbai, India 2006
Positions Previously Held
2003-2006
PhD Student, Bombay College of Pharmacy (University of Mumbai)
2002-2003
Senior Research Fellow, Dept of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Mohali, India
2002
Chemist, Molecular Modelling and Drug Design Lab, Dr. Reddy’s Research Foundation, Hyderabad, India
2000-2001
M.S. Student, NIPER, India
Selected Publications
1. Verma J, Khedkar V, Khedkar SA, Malde AK, Prabhu A, Coutinho EC. “A Comprehensive Analysis of the Thermodynamic Events involved in Ligand-Receptor Binding using CoRIA and its variants”. Journal of Computer-Aided Molecular Design, 2008, 22, 91-104
2. Malde AK, Srivastava SS, Coutinho EC. “Understanding Interactions of Gastric Inhibitory Peptide (GIP) with its Receptor through NMR and Molecular Modelling”. Journal of Peptide Science, 2007, 13, 287-300
3. Khedkar SA, Malde AK, Coutinho EC. “Design of Inhibitors against MurF Enzyme of S. pneumoniae using Docking, 3D-QSAR and De Novo Design” Journal of Chemical Information & Modeling, 2007, 47, 1839-1846
4. Malde AK, Khedkar SA, Coutinho EC. “The B(OH)-NH Isostere is a Surrogate for the Amide bond (CO-NH) in Peptides: An Ab Initio Study”. Journal of Chemical Theory and Computation 2007, 3, 619-627
5. Datar PA, Khedkar SA, Malde AK and Coutinho EC. “Comparative Residue Interaction Analysis (CoRIA): A 3D-QSAR Approach to Explore the Binding Contributions of Active Site Residues with Ligands”. Journal of Computer-Aided Molecular Design, 2006, 20, 343–360
6. Nayyar A, Malde A, Coutinho E, Jain R. “Three-dimensional Quantitative Structure (3D-QSAR) Activity Relationship Studies on Ring-substituted Quinoline Class of Anti-tuberculosis Agents”. Bioorganic & Medicinal Chemistry, 2006, 14, 847-856
7. Khedkar SA, Malde AK, Coutinho EC. “Comparative Protein Modeling of Methionine S-Adenosyltransferase (MAT) Enzyme from M. tuberculosis: A Potential Target for Antituberculosis Drug Discovery”. Journal of Molecular Graphics and Modelling, 2005, 23(4), 355-366
8. Bharatam PV, Iqbal P, Malde A, Tiwari R. “Electron Delocalization in Aminoguanidines”. Journal of Physical Chemistry A, 2004, 108, 10509-10517
9. Chakraborti AK, Gopalakrishnan B, Sobhi ME, Malde AK. “3D-QSAR Studies on Thieno[3,2-d]pyrimidines as Phosphodiesterase IV Inhibitors”. Bioorganic & Medicinal Chemistry Letters, 2003, 13 (8), 1403-1408
Contact Details
Postdoctoral Research Fellow
Molecular Dynamics Group
School of Molecular and Microbial Sciences (SMMS)
Chemistry Building (#68)
The University of Queensland
St. Lucia Campus, Brisbane, QLD 4072
Australia
email: a.malde_at_uq.edu.au
Fax: +61 7 3365 3872
