Assistant Professor, Department of Biology
- Structural Bioinformatics
- Molecular Modeling and Simulations
- Protein Engineering and Ligand Design
- Fundamentals of Biological Systems
- Biochemical Engineering
- Biomolecules & Biochemistry
- Computer Aided Protein & Small Molecule Design
- Biofuels & Bioenergy
- Ph.D. - University of Hyderabad (2010)
- M.Sc. - University of Hyderabad (2004)
- Assistant Professor - Indian Institute of Petroleum & Energy (July 2019 - till date)
- Assistant Professor - Central University of Himachal Pradesh (November 2012 to July 2019)
- Ivanov I, Kakularam KR, Shmendel EV, Rothe M, Aparoy P, Heydeck D, Kuhn H. Oxygenation of endocannabinoids by mammalian lipoxygenase isoforms. Biochim Biophys Acta Mol Cell Biol Lipids. 2021 Jun;1866(6):158918. doi:10.1016/j.bbalip.2021.158918.
- Chaudhary N, Aparoy P. Application of per-residue energy decomposition to identify the set of amino acids critical for in silico prediction of COX-2 inhibitory activity. Heliyon. 2020;6(10):e04944. doi:10.1016/j.heliyon.2020.e04944.
- Chaudhary N, Aparoy P. Deciphering the mechanism behind the varied binding activities of COXIBs through Molecular Dynamic Simulations, MM-PBSA binding energy calculations and per-residue energy decomposition studies. J Biomol Struct Dyn. 2017 Mar;35(4):868-882. doi: 10.1080/07391102.2016.1165736.
- Gupta A, Aparoy P. Insights into the structure activity relationship of mPGES-1 inhibitors: Hints for better inhibitor design. Int J Biol Macromol. 2016. Jul;88:624-32. doi: 10.1016/j.ijbiomac.2016.03.038.
- Singh O, Sawariya K, Aparoy P. Graphlet signature-based scoring method to estimate protein-ligand binding affinity. R Soc Open Sci. 2014 Dec 10;1(4):140306. doi: 10.1098/rsos.140306.
- Filosa R, Peduto A, Aparoy P, Schaible AM, Luderer S, Krauth V, Petronzi C, Massa A, de Rosa M, Reddanna P, Werz O. Discovery and biological evaluation of novel 1,4-benzoquinone and related resorcinol derivatives that inhibit 5-lipoxygenase. Eur J Med Chem. 2013 Sep;67:269-79. doi: 10.1016/j.ejmech.2013.06.039.
- Aparoy P, Reddy KK, Reddanna P. Structure and ligand based drug design strategies in the development of novel 5- LOX inhibitors. Curr Med Chem.2012;19(22):3763-78. doi: 10.2174/092986712801661112.
- Kuntal BK, Aparoy P, Reddanna P. EasyModeller: A graphical interface to MODELLER. BMC Res Notes. 2010 Aug 16;3:226. doi: 10.1186/1756-0500-3-226.
- Aparoy P, Reddy RN, Guruprasad L, Reddy MR, Reddanna P. Homology modeling of 5-lipoxygenase and hints for better inhibitor design. J Comput Aided Mol Des. 2008 Sep;22(9):611-9. doi: 10.1007/s10822-008-9180-0.
- Development of 5-LOX specific scoring function and application of fragment based free energy methods for the development of anti-cancer drug candidate, ~ 63 lakhs, funded by ICMR (2019 to 2022). Role: Principal Investigator
- Structure-based design of nanobody inhibitors against EGFR: A Protein engineering approach to develop novel therapeutics for lung cancer, ~ 67 lakhs, funded by ICMR (2019 to 2022). Role: Co-Investigator
Awards & Honors
- Selected for SERB IUSSTF Post-Doctoral Research award in 2016
- Selected for UGC Raman Post-Doctoral Research award in 2016
- Selected for UGC- DS Kothari Post-Doctoral Fellowship in 2010
- GATE - 2004, All India Rank -43
- Selected for CSIR-JRF in 2004
Associate Dean (R&D)
- Mr. Sahanawaz Parvez
- Dr. Omkar Singh
- Current position - Postdoctoral Researcher at National Cancer Institute (NCI), National Institute of Health (NIH), USA
- Dr. Ashish
- Current position - Research Associate at CSIR-Institute of Himalayan Bioresource Technology
- Dr. Neha
- Current position - Assistant Professor at Govt Degree College, Himachal Pradesh