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CSIR-Indian Institute of Integrative Medicine

CSIR-Indian Institute of Integrative Medicine

(Council of Scientific & Industrial Research)

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Dr. Amit Nargotra

Dr. Amit Nargotra

Principal Scientist

Natural Products & Medicinal Chemistry Division

CSIR – Indian Institute of Integrative Medicine, Canal Road, Jammu – 180001
Email: anargotra@iiim.res.in

  • Profile
  • Position Held
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Profile

Bio Sketch

Dr. Amit Nargotra is a Cheminformatician with over 15 years of research experience in the area of computational drug design & discovery. He did his electronics/computer engineering from BITS Pilani, and later did his PhD in Bioinformatics from Jamia Hamdard, New Delhi. Currently he is heading the Discovery Informatics group at Indian Institute of Integrative Medicine (IIIM), Jammu. The major research activity includes the identification of novel scaffolds for drug discovery for therapeutic targets pertaining to cancer and infection. He has established a state-of-the-art molecular modeling facility at IIIM and is also managing the Institutional compounds repository. His group is involved in developing various computer aided drug design models and their application on the Institutional compound library for identification of novel, potent inhibitors of the selected therapeutic targets in the area of cancer, infection and neurological disorders. The method is eventually validated with in vitro and in vivo validation of the identified hits. Dr. Nargotra’s group is working in very close collaboration with the medicinal chemists, natural product chemists and pharmacology group of the Institute and the outcome is evident from the high impact publications in the area of drug discovery. He has more than 40 SCI publications and 6 patents to his credit.

Education

Degree Subjects University Qualifying Year
PhD Bioinformatics Jamia Hamdard, New Delhi 2013
M.Sc Computers Annamalai University 2009
B.E. (Hons) Electrical & Electronics BITS Pilani 2000

Position Held

Position Held

Position Held Period Organization
Principal Scientist 2017 – Present CSIR-IIIM
Senior Scientist 2013 – 2017 CSIR-IIIM
Scientist 2009 – 2013 CSIR-IIIM
Scientist B 2006 – 2009 CSIR-IIIM
Information Officer 2001 – 2006 CSIR-IIIM
Engineer D&D 2000 – 2001 Tata Elxsi Limited, Bangalore
Trainee Engineer D&D 1999 – 2000 Tata Elxsi Limited, Bangalore

Area of Expertise

Area of Expertise

  • Cheminformatics approach to design new inhibitors of protein targets for Cancer and Infection.
  • Application of protein fold imprints of natural products in drug discovery.
  • Network pharmacology application for understanding mechanism of action and identifying new starting points for drug discovery.
  • Development of cheminformatics tools and Interactive Interfaces for wide usage of the databases and tools developed

 

 

Project Involved / Ongoing Projects

Projects

  • Development of processes for Active Pharmaceutical Ingredients towards COVID 19
  • Genotype-Phenotype relationship in rare genetic disorder: Physicochemical analysis of mutations in GNE myopathy and phenotypic modulation by small molecular effector.
  • Molecular modeling studies and creation and maintenance of IIIM repository of natural and synthetic molecules (Sir R N Chopra Repository)

 

 

 

 

Publications and Patents

Publications

Authors Title Journal
Bashir A Akhoon, Sushil Choudhary, Harshita Tiwari, Ajay Kumar, Manas Ranjan Barik, Laxmi Rathor, Rakesh Pandey, Amit Nargotra Discovery of a new donepezil-like acetylcholinesterase inhibitor for targeting Alzheimer’s disease: computational studies with biological validation Journal of Chemical Information and Modeling
Priya MahajanBhumika WadhwaManas Ranjan BarikFayaz MalikAmit Nargotra. Combining ligand- and structure-based in silico methods for the identification of natural product-based inhibitors of Akt1. Molecular  Diversity

 

Mohd Ishaq Dar,Priya Mahajan, Suraya Jan, Shreyans K.Jain, Harshita Tiwari, Jagjeet Sandey, Sandip Bharate, Amit Nargotra, Sajad Hussain Syed Rottlerin is a pan phosphodiesterase inhibitor and can induce neurodifferentiation in IMR-32 human neuroblastoma cells European Journal of Pharmacology
G. Lakshma Reddy, Mohd. Ishaq Dar, Abhinandan D.Hudwekar, Priya Mahajan, Amit Nargotra, Adil Manzoor Baba, Utpal Nandi, Priya Wazir, Gurdarshan Singh, Ram A.Vishwakarma, Sajad Hussain Syed, Sanghapal D.Sawant. Design, synthesis and biological evaluation of pyrazolopyrimidinone based potent and selective PDE5 inhibitors for treatment of erectile dysfunction Bioorganic Chemistry
M Srinivas, Anup Singh Pathania, Priya Mahajan, Praveen K Verma, Santosh S Chobe, Fayaz A Malik, Amit Nargotra, Ram A Vishwakarma, Sanghapal D Sawant Design and synthesis of 1, 4-substituted 1H-1, 2, 3-triazolo-quinazolin-4 (3H)-ones by Huisgen 1, 3-dipolar cycloaddition with PI3Kγ isoform selective activity Bioorganic & Medicinal Chemistry Letters

 

Sunil Kumar, Rukmankesh Mehra, Sumit Sharma, Naveen Prakash Bokolia, Diksha Raina, Amit Nargotra, Parvinder Pal Singh, Inshad Ali Khan Screening of antitubercular compound library identifies novel ATP synthase inhibitors of Mycobacterium tuberculosis Tuberculosis

 

Umed Singh, Gousia Chashoo, Sameer U. Khan, Priya Mahajan, Amit Nargotra , Girish Mahajan, Amarinder Singh, Anjna Sharma, Mubashir J. Mintoo, Santosh Kumar Guru, Hariprasad Aruri, Thanusha Thatikonda, Promod Sahu, Pankaj Chibber, Vikas Kumar, Sameer A. Mir, Sonali S. Bharate, Sreedhar Madishetti, Utpal Nandi, Gurdarshan Singh, Dilip Manikrao Mondhe, Shashi Bhushan, Fayaz Malik, Serge Mignani, Ram A. Vishwakarma, and Parvinder Pal Singh Design of Novel 3-Pyrimidinylazaindole CDK2/9 Inhibitors with Potent In Vitro and In Vivo Antitumor Efficacy in a Triple-Negative Breast Cancer Model. Journal of Medicinal Chemistry

 

Priya Mahajan, Gousia Chashoo, Monika Gupta, Amit Kumar, Parvinder Pal Singh, Amit Nargotra* Fusion of Structure and Ligand Based Methods for Identification of Novel CDK2 Inhibitors. Journal of Chemical Information and Modeling
Rukmankesh Mehra, Vikrant Singh Rajput, Monika Gupta, Reena Chib, Amit Kumar, Priya Wazir, Inshad Ali Khan, and Amit Nargotra Benzothiazole Derivative as a Novel Mycobacterium tuberculosis Shikimate Kinase Inhibitor: Identification and Elucidation of Its Allosteric Mode of Inhibition Journal of Chemical Information and Modeling
Rukmankesh Mehra, Rashmi Sharma, Inshad Ali Khan, Amit Nargotra Identification and optimization of Escherichia coli GlmU inhibitors: An in silico approach with validation thereof. European Journal of Medicinal Chemistry

Patents

Investors/Contributors Title Descripion Year
Sanghapal Damodhar Sawant, Lakshma Reddy GINNEREDDY, Srinivas MAHESUNI, Sajad Hussain SYED, Mohd Ishaq DAR, Amit Nargotra, Priya MAHAJAN, Ram Asrey Vishwakarma Pyrazolopyrimidinones for the treatment of impotence and process for the preparation thereof This invention relates to Pyrazolopyrimidinone compounds as PDE5 inhibitors with better IC50 value, good in vivo efficacy and PK profile and a process for the preparation thereof. The invention covers the pyrazolo pyrimidinone based compounds that have been designed, synthesized and screened for PDE5 inhibitory activity and its PDE5 inhibitory potential is provided in this invention. These designer compounds have shown nanomolar potency when screened for PDE5 inhibitory activity and also shown better in vivo efficacy. These compounds can be used in the treatment of male erectile dysfunction or in the treatment of impotence. 2018
Thanusha Thatikonda, Suresh Kumar, Umed Singh, Priya Mahajan, Girish Mahajan, Amit Nargotra, Fayaz Malik, Dilip Manikrao Mondhe, Ram Asrey Vishwakarma, Parvinder Pal Singh 1, 3, 5-triazine based PI3K inhibitors as anticancer agents and a process for the preparation thereof This invention describes series of heterocyclic compounds and their method of preparation thereof. These compounds inhibits phosphoinositide 3-kinase (PI3K) and can be used as the anticancer agents. 2018
Singh,  P. P.; Munagala, G.; Yempalla, K.R.; Khan,  I.A.; Kalia, N.P.; Rajput, S. V.; Nargotra, A.; Sawant, D. S.; Vishwakarma, R. A. 6-nitro-2,3-dihydroimidazo[2,1-B] oxazoles and a process for the preparation thereof anti-mycobacterial agents This invention relates to newer generation of triazoles, tetrazoles, isoxazoles, urea and sulphonamide functionalities containing 6-nitro-2,3-dihydronitroimidazooxazoles agents, their method of preparation, and their use as drugs for treating Mycobacterium tuberculosis, MDR-TB and XDR-TB either alone or in combination with other anti-tubercular agents. The new generation 6-nitro-2,3-dihydronitroimidazooxazoles agents also show acceptable pharmacokinetic properties and synergistic or additive effects with known anti-tubercular drugs. 2017
Vishwakarma, R.A.; Sawant, S.D.; Singh, P.P.; Dar, A,H.; Sharma, P.R.; Saxena, A.K.; Nargotra, A.; Kumar, K.A.A.; Ramesh, M.; Qazi, A.K.; Hussain, A.; Chanauria, N (EN) Boronic acid bearing liphagane compounds as inhibitors of PI3K-α and/or β (FR) Composés liphagane porteurs d’acide boronique servant d’inhibiteurs de PI3K-α et/ou β This invention relates to the anticancer potential of compounds with unique liphagane meroterpenoid scaffold having boronic acid functionality in the. A method of preparation and inhibiting the activity of phosphoinositide-3-kinase (PI3K-alpha and beta) has been presented. 2015
Koul,S.;Reddy, M. V.; Sangwan,P. L.; Singh,B.; Kumar,C. P.; Khan,I. A.; Kalia,N. P.; Nargotra,A. .; Vishwakarma,Ram Novel diamides as potentiators of the bioefficacy of drugs This invention relates to the field of chemotherapeutics, particularly use of novel synthetic aromatic amides for potentiating the bioefficacy of specific drugs. The invention particularly relates to the preparation and use of synthetic analogues of 4-{ halo(substituted phenyl) methylene}-hex-2-enedioic acid diamide, useful in potentiating bioefficacy of anti-infective drugs. 2011 (filed)
Nargotra ,A.; Koul ,S.; Singh, J.; Ahmed ,Z.; Bhagat, A.; Taneja, S. C.; Raina, R. K.;Qazi ,G. N. An aromatic inhibitor of venom Phospholipase A2 This invention relates to the design and development of structure-based ligands as inhibitors of PLA2 of Viper venom. The study involves the computational approach towards evaluating a library of molecules comprising of natural products, and synthetic molecules through docking studies on the venom protein, which resulted in the identification of various phenolic compounds as PLA2 inhibitors 2008 (filed)

Awards / Honours

Awards and Honours

  • Received Merit Scholarship throughout the course in BITS Pilani during Engineering.
  • Gold Medal awarded for securing second position in JK Board in Higher Secondary School.
  • Received Momento from Mrs Governer for being topper in CBSE Secondary School Examination.

 

 

 

 

 

 

 

Group

Students

Photo Name Area of Interest  Position
Ms Harshita Tiwari Harshita is an ICMR-Senior Research Fellow at Discovery Informatics Division. Her work is majorly focused on early phase drug discovery and in silico compound library screening. Her doctoral research work is focused on:

  • In silico structure and ligand based screening of compound library against coli MurA enzyme.
  • Mode of action study of identified compounds with Molecular dynamics simulation.

ICMR- Senior research fellowship Project: Target identification and in silico drug repurposing for neuroinflammation using network pharmacology

ICMR-Senior Research Fellow
Mr Manas Ranjan Barik Manas is ICMR-SRF at Discovery Informatics Division. His research interests include applying statistical data mining and bioinformatics techniques to system biology. He is especially interested in:

  • Network pharmacology application to understand the mechanism of action of potential phytochemicals in multi disease.
  • Understanding cellular signal transduction pathways and complexity of the system.
  • Analyzing multi-dimensional data generated by Genomic Technologies, included Microarrays and Proteomics.                                                                 In the areas of Molecular Modelling, Drug Designing, Phylogenetic Analysis, Pharmacokinetics, Proteomics, Genomics and Bioinformatics
ICMR-Senior Research Fellow
Ms Harjot Sandhu Harjot is an INSPIRE fellow and recently enrolled for her PhD at Discovery Informatics Division. Her area of interest include studies related to development of drugs for various disease targets through bioinformatic tools.

Alumni:

  1. Rukmankesh, Assistant Professor IIT Bhilai.
  2. Priya Mahajan, RA, GNDU Amritsar.
INSPIRE fellow

 

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