Central Instrumentation

Dr. Umesh Prasad Singh

Ph.D, Science (Structural Biology/ Biophysics),Indian Institute of Science,1997 – 2004
MSc (Research), Interdisciplinary (physics & Chemistry),University of Mumbai,1993-1996. Studied at University Department of Chemical Technology (UDCT). 
BSc, Physics (major), Chemistry and Mathematics,University of Mumbai,1989 – 1992, Studied at DG Ruparel College, Mahim, Mumbai.

Contact -umesh.singh@iicb.res.in

Principal Scientist

Past Positions held:

Lead Computational Scientist at TCG Lifesciences (Chembiotek -Kolkata) (2012-2014)

Lead Computational Chemist (Group Leader) at Advinus Therapeutics- A TATA Enterprise - A TATA Enterprise, Pune (2008-2012)

Research Officer at Dept of Bio. and Biochem., University of Bath, UK (2004-2007)


Research Summary:

Discovery scientist in preclinical translational research for about 10 years

• Drug discovery areas: Metabolic diseases (Diabetes,Asthama, allergy, COPD, IBD), Alzheimer’s, Pain/Inflammation, Infectious diseases (malaria, dengue) and amphibian ribonuclease based Cancer therapeutics

• Drug targets:
GPCRs, Kinases, solute transporter(s), enzymes etc

• X-ray crystallographics studies
of proteins, protein-ligand complexes

• Structure/ligand based drug design
, Protein homology modeling, Molecular modeling of proteins/ protein-drug complexes, High Throughput Virtual Screening (HTVS), Pharmacophore based modeling, molecular docking

Drug Discovery (translational medicine), Computational Chemistry, Molecular modeling, Structural Biology, Structural Chemistry

Contact: umesh.singh@iicb.res.in


List of important Patents and Publications

    1. Incipient Twisted Ribbon Structure Stabilized by C 12 Helical Turns in γ 4 /α Hybrid Peptide Sudha Shankar · Naiem Ahmad Wani · Umesh Prasad Singh* · Rajkishor Rai* ChemistrySelect (2016), 1(13):3675-3678
    2. Folded Structure Stabilized by C7, C10 and C12 Hydrogen Bonds in α/γ Hybrid Peptides Naiem Ahmad Wani, Vivek Kumar Gupta, Umesh Prasad Singh, Subrayashastry Aravinda, and Rajkishor Rai * ChemistrySelect (2016), 1, 1674 – 1677
    3. Anti-Oxiflammatory profile of date extracts (Phoenix sylvestris) Rintu Das, Shinjini Mitra, Kaustab Mukherjee, Umesh P. Singh, Ena Ray Banerjee Biomedical Research and Therapy (2015) 2(6): 297-317
    4. Anti-Oxidant and Anti-Inflammatory Activities of Different Varieties of Piper Leaf extracts (Piper betle L.), Rintu Das, Shinjini Mitra, Kaustab Mukherjee, Pramathadhip Paul, Umesh P. Singh, and Ena Ray Banerjee J Nutr Food Sci (2015), 5(5) 415. http://dx.doi.org/10.4172/2155-9600.1000415
    5. Substituted fused tricyclic compounds, compositions and medicinal applications thereof Barawkar, Dinesh; Bende, Tanushree ; Zahler, Robert; Bandyopadhyay, Anish; Sarangthem, Robindro Singh; Doshi, Jignesh; Waman, Yogesh; Jadhav, Rushikesh, Singh, Umesh Prasad.United States Patent Application: US2014/0023614 A1 · Filed: 03/21/2012 · Published: 01/23/2014
    6. BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF THAKKAR, Mahesh; KOUL, Summon; BHUNIYA, Debnath; SINGH, Umesh. WIPO Patent Application: WO/2013/157021 A1 · Filed: 04/18/2013 · Published: 10/24/2013
    7. AMIDE COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF KHARUL, Rajendra; BHUNIYA, Debnath;  MOOKHTIAR, Kasim A.; SINGH, Umesh; HAZARE, Atul ; PATIL, Satish; DATRANGE, Laxmikant; THAKKAR, Mahesh. WIPO Patent Application WO/2013/042139 A1 · Filed: 09/21/2012 · Published: 03/28/2013
    8. DISCOVERY OF PYRAZOLE CARBOXYLIC ACIDS AS POTENT INHIBITORS OF RAT LONG CHAIN L-2-HYDROXY ACID OXIDASE, Dinesh A. Barawkar,§,* Anish Bandyopadhyay,§ Anil Deshpande,§ Summon Koul,§ Sachin Kandalkar,§ Pradeep Patil,§ Goraksha Khose,§ Samir Vyas,§ Mahesh Mone,§ Shubhangi Bhosale,§ Umesh Singh,§ Siddhartha De,§ Ashwin Meru,§ Jayasagar Gundu,§Anita Chugh,§ Venkata P. Palle,§ Kasim A. Mookhtiar,§ Joseph P. Vacca,† Prasun K. Chakravarty,† Ravi P. Nargund,† Samuel D. Wright,† Sophie Roy,†Michael P. Graziano,† Doris Cully,† Tian-Quan Cai,† Sheo B. Singh†.  J. Biog Med Chem Lett, Volume 22 (2012) 4341-4347.
    9. Discovery of novel and potent  heterocyclic carboxylic acid derivatives as Protein Tyrosine Phosphatase 1B inhibitors, Sujay Basu, Uppuleti Viplava Prasad, Dinesh A. Barawkar, Suraj Menon, Siddhartha De, Meena S Patel,Venkata P Palle, Sachin Thorat, Umesh P. Singh, Yogesh Waman, Sanjay Niranjan, Vishal Pathade, Ashwani Gaur. Bioorganic & Medicinal Chemistry Letters, Volume 22 (2012), Pages 2843-2849)
    10. Potent and Selective Inhibitors of Long Chain L-2-Hydroxy Acid Oxidase-2 Reduced Blood Pressure in DOCA-Salt Treated Rats. Dinesh A Barawkar, Ashwin Meru, Anish Bandyopadhyay, Abir Banerjee, Anil M Deshpande,Chandrashekhar Athare, Chandrasekhar Koduru, Goraksha Khose, Jayasagar Gundu, Koshu Mahajan, Pradeep Patil, Sachin R Kandalkar, Sanjay Niranjan, Shubhangi Bhosale, Siddhartha De, Sudit Mukhopadhyay, Sumit Chaudhary, Summon Koul, Umesh Singh, Anita Chugh, Venkata P. Palle, Kasim A Mookhtiar, Joseph Vacca, Prasun K Chakravarty, Ravi P. Nargund, Samuel, D. Wright, Sophie Roy, Michael P Graziano, Sheo Bux Singh, Doris Cully, and Tian-Quan Cai
      ACS Med. Chem. Lett. (2011), 2, 919−923
    11. Crystal structure of Onconase at 1.1-Å resolution. Insights into substrate binding and collective motion. Daniel E. Holloway, Umesh P. Singh, Kuslima Shogen and K. Ravi Acharya FEBS Journal 278 (2011) 4136–4149.
    12. Structure of a Cyclic Water Tetramer in a Nucleotide Crystal Host and a Hypothetical Model for Water Cluster Growth. Umesh Prasad Singh* J. Mol Structure (2010) 983, 73-75.
    13. Enzymatic and Structural Characterisation of Amphinase, a Novel Cytotoxic Ribonuclease from Rana pipiens Oocytes
      Umesh P. Singh, Wojciech Ardelt, Shailendra K. Saxena, Daniel E. Holloway, Eugene Vidunas, Hung-Suen Lee, Abha Saxena, Kuslima Shogen and K. Ravi Acharya, J. Miol. Biol. (2007) 371, 93-111
    14. Correlating Miscibility of PVC/PMMA blend with Polymer Chain Orientation.  Vineeta D. Deshpande and Umesh Singh*. J. Appl. Polym. Sci. (2006). 101, 624-630.
    15. Ethyl 2-[N-(tert-butyloxycarbonyl)-L-alanylamino]-4-methyl-1, 3-thiazole-5-carboxylate reveals a trans orientation of the preceding amide N-H with respect to the thiazole-ring sulfur. Umesh Prasad Singh, Mini Thomas, T.P. Seshadri and Shantanu Bhattacharya.       Acta. Cryst. (2000) C56, 1482-1483 .



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