Projects
- Predict the drug-target interactions by incorporating both ligand and target information encoded in descriptors along with their interaction profile extracted from chemogenomic databases using Support vector machine (SVM) and other machine learning approaches
- Comparative sequence and structural characterization of integrase-binding domain of homologous HRP2 and LEDGF/p75 protein
- Identify system-wide secondary targets and predict possible clinical outcomes (side effect) for in-house lead molecules by using computational tools and systems biology approach
- Homology modelling of Pept1 membrane protein and molecular docking of TRH analogues on prepared homology model
Publications
Mechanistic Insights into PEPT1-Mediated Transport of a Novel Antiepileptic, NP-647
- Mol. Pharmaceutics, 2012, 9 (9): 2458–2468. doi: 10.1021/mp200672d
- Kailas S. Khomane, Prajwal P. Nandekar, Banrida Wahlang, Pravin Bagul, Naeem Shaikh, Yogesh B. Pawar, Chhuttan Lal Meena, Abhay T. Sangamwar, Rahul Jain, K. Tikoo , and Arvind K. Bansal*
- J. Mol. Recognit., 2014, 27 (3): 138–150. doi: 10.1002/jmr.2342
- Khaled M. Tumbi, Prajwal P. Nandekar, Naeem Shaikh, Siddharth S. Kesharwani and Abhay T. Sangamwar*
- Molecular Simulation, 2014 (ahead-of-print):1-8
- Kumar R, Sharma M, Naeem Shaikh, Garg P*
Posters Presented
- Naeem Shaikh, Anup Shah, Prabha Garg, A Systematic Prediction of Target-Ligand Interactions by Machine Learning Approach, 3rd Indo-German Conference on Modeling Chemical and Biological (Re)activity (MCBR), NIPER, Mohali, India in February-March, 2013
- Naeem A. Shaikh, Prajwal P. Nandekar, Abhay T. Sangamwar, Structure-based approach to identify cross-target binding profile for CYP1A1 inducer, 4th International Symposium on Drug Metabolism and Pharmacokinetics (DMPK), NIPER, Mohali, India in February, 2012
- Nilkanth N. Patel, Khaled M. Tumbi, Naeem A. Shaikh, Abhay T. Sangamwar, Applications of Open Source Workflow Management Tools in Drug Discovery: Exploring use of Scientific Workflow in Cross Target Identification, 2nd International conference on open source for computer-aided Translational medicine (OSCAT), IMTECH, Chandigarh, India in February, 2012
Conferences Attended
- 3rd Indo-German Conference on Modeling Chemical and Biological (Re)activity (MCBR), NIPER, Mohali, India in February-March, 2013
- 2nd International conference on open source for computer-aided Translational medicine (OSCAT), IMTECH, Chandigarh, India in February, 2012
- 4th International Symposium on Drug Metabolism and Pharmacokinetics (DMPK), NIPER, Mohali, India in February, 2012
- 3rd International Symposium on Drug Metabolism and Pharmacokinetics (DMPK), NIPER, Mohali, India in February, 2011