Contact


Dr. Prajwal P. Nandekar
Postdoc Research associate
Molecular and cellular modeling
Heidelberg Institute for Theoretical Studies (HITS)
Phone: +49(0)6221-533-202
Fax: +49(0)6221-533-298
Mobile: +49-151-71660851
Email: prajwal.nandekar@h-its.org
prajwal.pharm07@gmail.com

1


Research interests


  • Molecular modeling studies of Cytochrome P450s (CYP), Cytochrome P450 reductase
  • Protein-protein and protein-membrane interaction studies
  • Molecular modeling and computer-aided drug design of anticancer compounds targeting CYP1A1

1


Methodologies and Software


  • Structure and ligand based drug design
  • Metabolism prediction studies
  • Software development
  • Molecular dynamics simulations: Coarse-grain, all-atom, Random Acceleration Molecular Dynamics (RAMD) simulations
  • Quantum chemistry
  • In vitro assay

1


Academic details


Jan 2015 – till date

Working as Postdoc Research associate in Molecular and Cellular Modeling Group, Heidelberg Institute of Theoretical Studies (HITS), Heidelberg, Germany.

Sept 2013 – Sept 2014

As a Deutscher Akademischer Austausch Dienst (DAAD) fellow during Ph.D. tenure at MCM, HITS, Heidelberg, Germany.

July 2010 – Dec 2014

Ph.D. in Pharmacoinformatics, with cGPA of 8.50 on a 10 point scale.

Thesis title: Cytochrome P450 1A1: Molecular Modeling Guided Design and In Vitro Studies of Anticancer Compounds and Cyp1A1-Biomembrane Interactions.

Supervisor: Dr. Abhay Sangamwar, Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research (NIPER), S.A.S. Nagar and

Co-supervisor: Prof. Rebecca Wade, HITS gGmbH, Heidelberg, Germany.

July 2008 – June 2010

M. S. (Pharm.) Pharmacoinformatics, with cGPA of 9.02 on a 10 point scale.

Thesis title: Cytochrome P450 2C19 mediated metabolism of drugs: Molecular docking and MetaSite analysis

Supervisor: Prof. Prasad V. Bharatam, Department of Medicinal Chemistry, NIPER, S.A.S. Nagar.

Industry – Academia collaborative project for one year during M. S. (Pharm.).

Project: The identification of optimum protocol to solve the CYP450 mediated drug metabolism profile of NCE.

Supervisors: Dr. Prashant Desai, Eli Lilly, Department of Drug Metabolism and Disposition, Indianapolis, United States of America.

2004 – 2008

Bachelor of Pharmacy, with 65.95 % marks. First Division.

University Department of Pharmaceutical Sciences, Nagpur University, Nagpur, India

2003

Higher Secondary School Certificate Exam, with 81.03% marks.

Nabira Mahavidyalaya, Katol, Dist. Nagpur, India

2001

Secondary School Certificate Exam, with 80.60% marks.

Nagar Parishad High School, Katol, Dist. Nagpur

1


Technical expertise


  • Data Mining/Statistics software used: R package, MATLAB, RapidMiner, Sigmastat, GNU plot, SQL Data mining add-in in MS Excel

  • Programing/Scripting skills: C++, Perl, Python, Bash shell scripting

  • Hardware and operating systems worked on: Sun workstation, Core Cluster on Linux, SGI Tezro, Fuel, Windows, IRIX, LINUX

  • Chem-Bio software used:

    • Chemoinformatics: Tripos Sybyl 7.1, Schrödinger Suite, Accelrys Discovery Studio, CCG MOE, Cambridge ChemOffice 2010

    • Docking: FlexX, Glide, InduceFit, Autodock, GOLD, LeadIT, CDOCKER

    • Visualizer: Maestro, Silver, BiosolveIT, Pymol, VMD, Chimera

    • Homology modeling: Modeller, Prime, Biopolymer

    • ADMET prediction: GastroPlus (Simulations Plus, Inc), Dragon, TOPKAT, DEREK, MetaSite, ADMET predictor, ACD labs, QuickProp

    • Molecular dynamics: Gromacs, Amber, NAMD

    • Quantum chemistry: Gaussian

    • Scientific workflow system: Pipeline Pilot and KNIME

  • Other software used: MS Access, M.S. Excel, Endnote, etc.

1


Professional recognitions / Awards / Fellowships


  • First prize for Hackathon session on “Setting up simulation” and “Software carpentry” in the Macromolecular simulation software workshop, at CECAM- Forschungszentrum Jülich GmbH, DE-JUELICH, 12-17 Oct. 2015.
  • Deutscher Akademischer Austausch Dienst (DAAD) fellowship awarded by the German Academic Exchange Service for Sandwich model Ph.D. to perform one year research at Heidelberg Institute of Theoretical Studies (HITS), Heidelberg, Germany from Sept. 2013 to Sept. 2014.

  • Young Scientist International Travel Grant awarded by Council of Scientific and Industrial Research (CSIR), to attend the European Conference on Computational Biology (ECCB’2012), 9-12 Sept. 2012, Basel Switzerland

  • NIPER fellowship for Doctoral study awarded by NIPER S.A.S. Nagar (July 2010 – Dec. 2014).

  • Secured All India Rank 179 in NIPER-JEE-2008 conducted by NIPER, Mohali.

  • MHRD fellowship awarded for Master’s study (July 2008 – June 2010)

  • Secured All India Rank 527 with 98.08 percentile in Graduate Aptitude Test in Engineering (GATE) 2008 (Pharmaceutical Sciences) conducted by IISc. Bangalore.

1


Research projects


  • Post-doctorate Research Project: Molecular modeling and simulations of Cytochrome P450-Cytochrome P450 Reductase to study protein-protein interactions”.

Research supervisor: Prof. Rebecca Wade, Heidelberg Institute of Theoretical Studies (HITS), Heidelberg, Germany

Currently, I am working as a Postdoc research associate in the Molecular and Cellular Modeling Group at the Heidelberg Institute of Theoretical Studies (HITS), Heidelberg, Germany under the supervision of Prof. Dr. Rebecca Wade. Here, my role is to design, coordinate, and work on research projects. I have also been responsible for creating new collaborations with other experimental research groups that are working in same research area. I am working on the research project on molecular dynamics simulations to study CYP450-CYP450 Reductase (protein-protein) interactions using Brownian dynamics, coarse-grained, and atomic-resolutions simulation methodologies.

  • Ph.D. Research Project Title: Cytochrome P450 1A1: Molecular Modeling Guided Design and In Vitro Studies of Anticancer Compounds and Cyp1A1-Biomembrane Interactions.

Doctoral thesis project July 2010-Dec.2014

Project Supervisor: Dr. Abhay T. Sangamwar, Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research (NIPER), S.A.S. Nagar and

Co-supervisor: Prof. Rebecca Wade, Heidelberg Institute of Theoretical Studies (HITS), Heidelberg, Germany

Developments in molecular oncology and pharmacoinformatics, has converted the pattern of new drug discovery (NDD) from pharmacology mode of “drug-receptor-gene” to retro-molecular pharmacology mode of “gene-receptor-drugs”. So, the oncologists have become more aware of the fact that NDD must target the developing mechanism of tumerogenesis to improve the therapeutic efficacy of antineoplastic drugs. The trend of anticancer drug studies has been oriented to target the multi-links of mechanism of tumerogenesis, such as targeting interrelated enzymes, interrupting cell signal transduction pathway, cell apoptosis and cell metabolism. The drugs designed are expected to have high affinity towards the novel targets selectively. The concept of overexpression of individual forms of cytochrome P450 (CYP450) enzymes in tumor cells is now becoming well recognized. Indeed, a growing body of research highlights the overexpression of CYP450s, particularly cytochrome P450 1A1 (CYP1A1), in tumor cells as representing novel targets for anticancer therapy. During the Ph.D. project, various in silico methodologies such as homology modeling, molecular docking, molecular dynamics simulations, quantum chemical studies, QSAR, pharmacophore mapping and the prediction of metabolism of chemotherapeutic agents were effectively applied for CYP1A1 mediated anticancer drug designing. The designed compounds were synthesized and tested against various cancer cell lines. The experimental validation of the designed molecules was performed to increase confidence level of strategy. The coarse grain and all atom molecular dynamics simulations were performed to understand the CYP1A1-membrane interactions. The RAMD simulation was also performed to study the CYP1A1-membrane, substrate and product interactions.

Minor Projects

  • DNA binding and off-target identification studies of 5F-203 and 5-amino flavone as CYP1A1 mediated antitumor compounds were performed using in silico techniques.

  • Quantum chemical based descriptor calculation of available CYP1A1 mediated antitumor compounds and designing of novel antitumor compounds acting on CYP1A1.

  • Predicting drug metabolism by CYP1A1, CYP1A2, and CYP1B1: insights from MetaSite, molecular docking and quantum chemical calculations.

  • Comparative Proteomics Among Cytochrome P450 Family 1 for Differential Substrate Specificity.

  • Characterization of Differences in Substrate Specificity among CYP1A1, CYP1A2 and CYP1B1: An Integrated approach employing Molecular Docking, Molecular Dynamics Simulations and Access Channel Analysis.

Collaborative Projects

  • Mechanistic Insights into PEPT1-Mediated Transport of a Novel Antiepileptic, NP-647

Project Supervisor: Dr. Arvind K. Bansal, Department of Pharmaceutics, NIPER, S.A.S. Nagar)

It is aimed to uncover the properties of the transport mechanism or mechanisms responsible for the uptake of NP-647 into Caco-2 cells and, in particular, to understand whether it is a substrate for the intestinal oligopeptide transporter, PEPT1. NP-647 showed a carrier-mediated, saturable transport with Michaelis-Menten parameters. The effect of pH, sodium ion (Na+), glycylsarcosine and amoxicillin (substrates of PEPT1), and Na+/K+-ATPase inhibitor on the flux rate of NP-647 was determined. Molecular docking and molecular dynamics simulation studies were carried out to investigate molecular interactions of NP-647 with transporter using homology model of human PEPT1.

  • Design, synthesis and in silico studies of novel and specific substrates for thyrotropin releasing hormone receptor-2 (TRHR-2) as anti-epileptic agents

Project Supervisor: Dr. Rahul Jain, Department of Medicinal Chemistry, NIPER, S.A.S. Nagar

The various drugs are available as thyrotropin releasing hormone (TRH) analogues as to treat epilepsy a CNS disorder. The TRHR-2 as a novel target for TRH analogues were identified and validated by researchers. The novel substrates as TRH analogues were designed and synthesized and tested for their anti-epileptic activity. We have performed in silico studies such as homology modeling of TRHR-1 and TRHR-2 to study the 3D structural features of receptor target. The molecular docking and molecular dynamics simulation studies were also performed to study the substrate-receptor binding and substrate specificity towards TRHR-2. The results were also validated using in vitro substrate binding assay.

  • Cytochrome P450 2C19 mediated metabolism of drugs: Molecular docking and MetaSite analysis

M.S. (Pharm.) thesis project from March 2009 to June 2010

Project Supervisor: Prof. Prasad V. Bharatam, Department of Pharmacoinformatics, NIPER, S.A.S. Nagar.

This work is on predicting the site of metabolism of drugs using computational tools which helps in improving DMPK profile of NCE. During the work, performance of one free and three commercial docking software were compared and consensus ranking by all four software was evaluated on more than 60 drugs on CYP2C19 isoform. Preference of drugs for isoform of cytochrome P450 2C19 will be predicted using docking.

  • The identification of optimum protocol to solve the CYP450 mediated drug metabolism profile of NCE

Worked in Industry – Academia collaborative project for one year during M. S. (Pharm.)

Project Supervisors: Prof. Prasad V. Bharatam, Department of Pharmacoinformatics, NIPER, S.A.S. Nagar. and Dr. Prashant V. Desai, Eli Lilly, Department of Drug Metabolism and Disposition, Indianapolis, United States.

This work involves the identification of optimum protocol to solve the DMPK profile of NCE. This leads to generation of huge amount of data which is to be summarized and reported. We categorize events, identify the key influencers on the success rates in different protocols and by recursive partitioning, decision trees are designed which defines optimum pathway. We have used MetaSite, data mining add-in in MS Excel, RapidMiner in addition to computational Chemistry, chemoinformatics software and C++ Programming.

Key achievements: A group member of five team members to look for overall progress and training of personnel which resulted in increased efficiency of team to successfully submit two quarterly reports even before deadline.

  1. Prajwal P. Nandekar, Kailas Khomane, Vikas Chaudhary, Shankar K. Gucchait, Arvind K. Bansal and Abhay T. Sangamwar; A novel approach for the metabolism based virtual screening, rational design, synthesis and anticancer activities of compounds acting on CYP1A1. Manuscript submitted in European Journal of Medicinal Chemistry.

  2. SS Kesharwani, PP Nandekar*, P Pragyan, and AT Sangamwar; Characterization of Differences in Substrate Specificity among CYP1A1, CYP1A2 and CYP1B1: An Integrated approach employing Molecular Docking, and Molecular Dynamics Simulations Analysis. Journal of Molecular Recognition, doi: *****.
  3. Ghulam Mustafa, Prajwal Nandekar*, Xiaofeng Yu, and Rebecca Wade; On the Application of the MARTINI Coarse-Grained Model in a Multiscale Approach to Simulation of Proteins in a Phospholipid Bilayer. (2015) Journal of Chemical Physics, Vol. 143,  page 243139. doi: 10.1063/1.4936909.

  4. Xiaofeng Yu, Prajwal Nandekar*, Ghulam Mustafa, Vlad Cojocaru, Galina I. Lepesheva, Rebecca C. Wade; Ligand Tunnels in T. brucei and human CYP51: Insights for Parasite-specific Drug Design. (2016) Biochimica et Biophysica Acta (BBA) – General Subjects, Vol 1860 (1), Part A, January 2016, Pages 67–78. doi:10.1016/j.bbagen.2015.10.015.

  5. CL Meena, A Thakur, PP Nandekar, AT Sangamwar, SS Sharma, R Jain; Synthesis of CNS active thyrotropin-releasing hormone (TRH)-like peptides: Biological evaluation and effect on cognitive impairment induced by cerebral ischemia in mice. (2015) Bioorganic and Medicinal Chemistry, Vol 23 (17), Pages 5641–5653. doi:10.1016/j.bmc.2015.07.022.
  6. CL Meena, PP Nandekar, S Rajput, S. Ingole, AT Sangamwar, SS Sharma, R Jain; Discovery of a low affinity thyrotropin-releasing hormone (TRH)-like peptide that exhibit potent inhibition of scopolamine-induced memory impairment in mice. (2015) RSC Advances, Vol 5, 56872-56884, doi:10.1016/j.bmc.2015.07.022.
  7. Roshan M. Borkar, Murali Bhandi, Ajay Dubey, Prajwal Nandekar, Abhay Sangamwar, Sanjay Banerjee, and R. Srinivas; Plasma protein binding, pharmacokinetics, tissue distribution and CYP450 biotransformation studies of fidarestat by ultra high performance liquid chromatography–high resolution mass spectrometry. (2014) Journal of Pharmaceutical and Biomedical Analysis, Vol 102, Pages 386–399. doi:10.1016/j.jpba.2014.10.008.
  8. SS Kesharwani, PP Nandekar*, P Pragyan, and AT Sangamwar; Comparative proteomics among cytochrome P450 family 1 for differentials specificity. (2014) The Protein Journal, Vol 33 (6), Pages 536-548. doi: 10.1007/s10930-014-9586-6.
  9. P Pragyan, SS Kesharwani, PP Nandekar*, V Rathod, and AT Sangamwar; Predicting drug metabolism by CYP1A1, CYP1A2, and CYP1B1: insights from MetaSite, molecular docking and quantum chemical calculations. (2014) Molecular Diversity, Vol 18 (4), Pages 865-878doi: 10.1007/s11030-014-9534-6.
  10. Pradipbhai D Kalariya, B Raju, Roshan M Borkar, Deepak Namdev, S Gananadhamu, Prajwal P Nandekar, Abhay T Sangamwar, R Srinivas; Characterization of forced degradation products of ketorolac tromethamine using LC/ESI/Q/TOF/MS/MS and in silico toxicity prediction. (2014) Journal of Mass Spectrometry, Vol 49 (5), Pages 380-391. doi: 10.1002/jms.3351.
  11. Inderjit S Yadav, Prajwal P Nandekar, Shambhavi Shrivastava, Abhay Sangamwar, Ashok Chaudhury, Subhash Mohan Agarwal; Ensemble docking and molecular dynamics identify knoevenagel curcumin derivatives with potent anti-EGFR activity. (2014) Gene, Vol 539 (1), Pages 82-90. doi:10.1016/j.gene.2014.01.056.
  12. KM Tumbi, PP Nandekar*, N Shaikh, SS Kesharwani, and AT Sangamwar; Molecular dynamics simulation studies for DNA sequence recognition by reactive metabolites of anticancer compounds. (2014) Journal of Molecular Recognition, Vol 27(3), Pages 138-150. doi: 10.1002/jmr.2342.
  13. S Jain, V Rathod, R Prajapati, PP Nandekar, and AT Sangamwar; Pregnane X Receptor and P-glycoprotein: a connexion for Alzheimer’s disease management. (2014) Molecular Diversity, Vol 18 (4), Pages 895-909. doi:10.​1007/​s11030-014-9550-6.
  14. Pravin Bagul, Kailas Khomane, Siddharth Kesharwani, Preeti Pragyan, Prajwal P. Nandekar*, Chhuttan Lal Meena, Arvind Kumar Bansal, Rahul Jain, Kulbhushan Tikoo and Abhay Sangamwar; Intestinal Transport of TRH Analogues through PepT1: The Role of In Silico and In Vitro Modeling. (2014) Journal of Molecular Recognition, 27 (10), Pages 609-617. doi: 10.1002/jmr.2385.
  15. Varun Kumar, Mahesh Guptha, Prajwal P. Nandekar, Gopal L. Khatik, Abhay T. Sangamwar, Kulbhushan Tikoo and Vipin A. Nair; Design and synthesis of optically pure 3-aryl-6-methyl-2-thioxotetrahydropyrimidin-4 (1 H)-ones as anti-prostate cancer agents. (2014) RSC Advances, Vol 4 (71), Pages 37868-37877. doi: 10.1039/C4RA06391K.
  16. Vijay Rathod, Sumit Jain, Prajwal Nandekar and Abhay T. Sangamwar; Human pregnane X receptor: a novel target for anticancer drug development. (2013) Drug Discovery Today, Vol. 19 (1), Pages 63-70. doi: 10.1016/j.drudis.2013.08.009.
  17. Sameer R. Modi, Ajay K. R. Dantuluri, Vibha Puri, Yogesh B. Pawar, Prajwal Nandekar, Abhay T. Sangamwar, Sathyanarayana R. Perumalla, Changquan Calvin Sun and Arvind K. Bansal; Impact of Crystal Habit on Biopharmaceutical Performance of Celecoxib. (2013) Crystal Growth Design, 13 (7), Pages 2824–2832. doi: 10.1021/cg400140a.
  18. Prajwal P. Nandekar, Khaled M. Tumbi, Nitu Bansal, Vijay Rathod, Leena B. Labhsetwar, Neelagiri Soumya, Sushma Singh, and Abhay T. Sangamwar; Chem-bioinformatics and in vitro approaches for candidate optimization: a case study of NSC745689 as a promising antitumor agent. (2013) Medicinal Chemistry Research, Vol. 22 (8), Pages 3728-3742. doi: 10.1007/s00044-012-0364-8.
  19. Chobe, S.S., Dawane, B.S., Tumbi, K.M., Nandekar, P.P., Sangamwar, A.T., An ecofriendly synthesis and DNA binding interaction study of some pyrazolo [1,5-a] pyrimidines derivatives. (2012) Bioorganic & Medicinal Chemistry Letters, Vol. 22 (24) Pages 7566–7572. doi: 10.1016/j.bmcl.2012.10.027.
  20. Kailas Khomane, Prajwal P. Nandekar*, Banrida Wahlang, Naeem Shaikh, Yogesh Pawar, Chhuttan Meena, Abhay Sangamwar, Rahul Jain, Kulbhushan Tikoo, Arvind Bansal; Molecular Mechanistic Insights into PEPT1-Mediated Transport of a Novel Antiepileptic, NP-647. (2012) Molecular Pharmaceutics, Vol. 9 (9), Pages 2458–2468. doi: 10.1021/mp200672d.
  21. Prajwal P. Nandekar and Abhay T. Sangamwar; Cytochrome P450 1A1 Mediated Anticancer Drug Discovery: In Silico Findings. (2012) Expert opinion in Drug Discovery, Vol. 7 (9), Pages 771-789. doi:10.1517/17460441.2012.698260.
  22. Prakash C Rathi, Prajwal P Nandekar, Prasad V Bharatam; A new combined docking and hydrogen abstraction energy model to predict site of metabolism on CYP2C9 substrates. (2010) Medicinal Chemistry Research, Vol. 19, Pages S142-S142.

  23. Prajwal P Nandekar, Prakash C Rathi, Prasad V Bharatam; Homology modelling and docking studies on Cytochrome P450 2C19: Prediction of site of metabolism on drugs. (2010) Medicinal Chemistry Research, Vol. 19, Pages S141-S141.

Note: *Author with equal contribution

1


Oral presentations at conferences


  1. Presentation title “Dynathor: Dynamics of the Complex of Cytochrome P450 and Cytochrome P450 Reductase in a Phospholipid Bilayer”, in the 18th Results and Review Workshop of the HLRS, at the High Performance Computing Center Stuttgart, Allmandring 30, 70569 Stuttgart, Germany, 5-6 Oct. 2015.
  2. Presentation title “Simulation of Human Drug-metabolizing Cytochrome P450s – Membrane, Substrate and Product Interactions” in the Indo-US Conference on Molecular Modeling and Informatics in Drug Design (M2ID2), 3rd– 6th November 2014 at NIPER, S.A.S. Nagar.

  3. Conducted “Training and practical session on MetaSite and TOPKAT software” in DMPK symposium 2010, 2011, 2012 and 2013 at NIPER, S.A.S. Nagar.

  4. Presentation title “Pharmacophore based in silico virtual screening: An effective strategy for CYP1A1 mediated anticancer drug discovery” in Drug Metabolism and Pharmacokinetics-2013 Symposium (DMPK-2013) at NIPER, S.A.S. Nagar.

  5. Presentation title “NSC745689, a new pyrimidobenzothiazole shows promising antitumor properties and an in silico insights for candidate optimization” in Drug Metabolism and Pharmacokinetics-2012 Symposium (DMPK-2012) at NIPER, S.A.S. Nagar.

1


Conferences/Workshops/Poster presentations


  1. Workshop on “Setting up simulation” and “Software carpentry” in the Macromolecular simulation software workshop, at CECAM- Forschungszentrum Jülich GmbH, DE-JUELICH, 12-17 Oct. 2015.
  2. Poster presented on “Identification of New Anticancer Compounds Through Computer-Aided Drug Designing Approaches” in “IT For Life Science @ Bayer” workshop. 12-13 May 2015 – at Leverkusen, Germany.
  3. Poster presented on Simulation of human drug-metabolizing cytochrome P450s – membrane, substrate, and product interactions in 20th International Symposium on Microsomes and Drug Oxidations (MDO). 26th February – 22nd May, 2014 – at Stuttgart, Germany.
  4. Attended 3rd Biological Diffusion and Brownian Dynamics Brainstorm: BDBDB3 at HITS, Heidelberg, Germany on October 7-9, 2013.
  5. Poster presented on “Molecular dynamics simulation to study the importance of loop flexibility in CYP1A1” in 3rd Indo-German Conference on Modelling Chemical And Biological (Re)activity. 26th February – 1st March, 2013 – NIPER & IISER Mohali, India.

  6. Poster presented on “Homology Modeling and molecular dynamics simulation to study the importance of loop flexibility in CYP1A1” in ECCB’12 – The European Conference on Computational Biology at Congress Center Basel, Switzerland, organized by Swiss Institute of Bioinformatics, Basel, Switzerland on 9-12. September 2012.

  7. Attended the Workshop on “Application of quantum chemistry in structure biology” at School of Computational and Integrative Sciences, Jawaharlal Nehru University, New Delhi on January 2-5, 2011.

  8. Poster presented on “Homology modeling and molecular dynamics simulation to study the importance of loop flexibility in CYP1A1” in DMPK-2012 symposium at NIPER, S.A.S. Nagar.

  9. Poster presented on “Cytochrome P450 1A1 as anticancer drug target: Use of homology modeling, molecular docking” in DMPK-2011 symposium at NIPER, S.A.S. Nagar.

  10. Poster presented on “Homology modeling and docking studies on cytochrome P450 2C19: Prediction of site of metabolism on drugs” at Current Trends in Drug Discovery Research (CTDDR-2010) at CDRI, Lucknow, India. Abstract published in “Journal of Medicinal Chemistry Research” Special issue in 2010.

  11. Poster presented on “Metabolism studies of cytochrome P450 2C19 substrates using computational approaches: Use of homology modeling, molecular docking and MetaSite” in International symposium Drug Metabolism and Pharmacokinetics -2010 (DMPK) Symposium at NIPER, S.A.S. Nagar.

1


Project granted


  • The written project entitled as “Molecular Dynamics Studies of the Homology model of CYP1A1, Structure Based Drug Design And Virtual Screening of Potential Ligands that Modulates the Biological Function of CYP1A1” was sanctioned from Department of Biotechnology (DBT), India during Ph.D. work (Total grant: Rs. 50,00,000)

1


Courses and Practices undertaken


Major courses

  • Ph. D credit courses: Structural bioinformatics and macromolecular Crystallography, Strategies in Lead Optimization, Biotransformation and Stereoselective Biocatalysis of Pharmaceutically important Compounds, Advanced Course in Intellectual Property Rights and technology Management, Regulatory Toxicology and Drug Safety Evaluation, Advanced Topics in Drug Action and Drug Design.

  • M.S.(Pharm.): Pharmacoinformatics- the Tool and Methodology, Bioinformatics, Molecular biology, Genomics, Proteomics and Systems Biology, , Informatics and Information Technology, Drug Design, Structure and Function of Biomolecules, Basis of Drug Action, Dosage Form Design Parameters, Drug Metabolism, Toxicity and Metabolic Disorders, Pharmacological Screening and Assays, IPRs, Pharmacy Practices, and Clinical Pharmacy.

  • B. Pharmacy : Pharmacology, Biochemistry, Medicinal Chemistry, Mathematics and Statistics, Organic Chemistry, Microbiology and Biotechnology, Pharmaceutical Analysis, Pharmaceutics, Pharmacognosy, Natural Products, Inorganic and Physical Chemistry, Anatomy and Physiology, Physical Pharmacy, Clinical Pharmacy.

Practicals performed

  • Pharmaceutics: Dosage form preparation, Dosage form evaluation parameter determination, Instrument handling, Instrument designing, etc.
  • Pharmaceutical Analysis: Assay of pharmaceutical ingredients, using UV, IR, Fluorimetry, Flame photometry, pH meter, Polarimeter, etc.
  • Medicinal chemistry: Synthesis of drugs, Evaluation of drug, etc
  • Pharmacognosy: Microscopic studies of different sections of part of medicinal plants, etc.
  • Microbiology: Culture development, culture preservation, staining methods, identification of cultures, etc.
  • Pharmacology: Animal handling, Studies of CRC for different drugs on isolated parts of frog and rat, etc.
  • Biochemistry: Various blood tests such as TLC, DLC, RBC count, Hemoglobin count, urine test, etc.
  • Biophysics: Studies of biological physics on isolated parts of animals, etc.

1


Extra curricular


  • Worked in organizing committee of “Drug Metabolism and Pharmacokinetics, Symposium (DMPK)” at NIPER, S. A. S. Nagar, Feb, 2010, 2011, 2012, 2013.

  • General course on IPR from WIPO, Geneva, through distance learning program, 2009.

  • Object oriented C++ programming from NIIT center, Mohali.

  • Attended Five days seminars on IPR, Patent design, Patent filing and content specification, Trademark applications at National Institute of Intellectual property Management, Nagpur on dated 15-19 Dec. 2008.

  • Industrial Training: Unijules Life Science, Nagpur, Maharashatra, Duration: 1 month during 3rd year of bachelor degree.

  • Worked as treasurer and cultural secretary in college annual gathering in Dec. 2007.

  • Participated in various sports events (Cricket, Vollyball, Chess)