Dr. Amit Kumar Singh

About

I have done my PhD and Post Doc from All India Institute of Medical Sciences, New Delhi. My area of research is Rational Structure Based Drug Design against drug target proteins of pathogens. My research group is particularly interested in cloning, expression, purification, characterization, crystallization and structural studies of target proteins using X-ray crystallography in combination with wide range of biophysical techniques and In Silico approach in order to investigate the structural and functional relationship of target proteins.

I am also interested in the structural and functional studies of mammalian heme peroxidases, in order to understand their biological functions, subsequent functional implication and their role in breast carcinogenesis and hyperthyroidism etc. My research group is also involved in characterization and determining the structures of potential therapeutic and antimicrobial proteins from various natural sources.

Experience

10 Years

Qualification

Ph.D : All India Institute of Medical Sciences, New Delhi, India
Post Doc : All India Institute of Medical Sciences, New Delhi, India.

Award & Recognition

S.No.	Awards and Recognitions	Year	Agency
1.	INSA Young Scientist Medal Award	2012	Indian National Science Academy (INSA), New Delhi
2.	DST Young Scientist Fellowship	2010	Department of Science and Technology (DST), New Delhi
3.	Selected and Nominated to represent India in a Workshop (Sharing the Start-up Experience)	2013	Indian National Science Academy (INSA) and Israel Academy of Sciences and Humanities
4.	Received appreciation letter for best teacher in Biotechnology Department (on the basis of Student Feedback)	2014	Sharda University
5.	Got level 4 (top-level) in annual assessment (PARSF) with Reward	2015	Sharda University
6	Invited Speaker in National Conference	2017	Aligarh Muslim University (AMU)
7	Best Oral Presentation Award in National Conference by GBU and Ministry of Ayush	2017	GBU and Ministry of Ayush
8	Best Poster Award, in NSC-36, Chennai	2007	National Seminar on Crystallography
9	Qualified CSIR-NET-JRF,	June, 2004	CSIR, New Delhi
10	Qualified UGC-NET-JRF,	Dec. 2004	UGC, New Delhi
11	Qualified CSIR-NET-LS	June 2002	CSIR, New Delhi
12	Qualified GATE	2005	GATE, Examinations
13	Qualified GATE	2004	GATE, Examinations
14	Qualified GATE	2003	GATE, Examinations

Research

S.N.	Type of Link	URL
1	Research Gate	https://www.researchgate.net/profile/Amit_Singh153
2	Google Scholar	https://scholar.google.com/citations?hl=en&user=sOZfnycAAAAJ
3	Pubmed	https://www.ncbi.nlm.nih.gov/myncbi/1RKJQ5xM8ibs73/bibliography/public/

H-Index:	11
i10-Index:	11
Total Citations:	443

Publication:

S.N.	Authors	Year	Title	Journal	Vol., P. No.	Indexing	Publisher
21	Khan RJ, Jha RK, Amera GM, Jain M, Singh E, Singh RP, Muthukumaran J and Singh AK.	2020	Identification of promising drug candidates against Non-Structural Protein 15 (NSP15) from SARS-CoV-2: an in silico assisted drug-repurposing studies	*ChemRxiv & BBRC*	10.26434/chemrxiv.12407711.v1
20	Khan RJ, Jha RK, Amera GM, Jain M, Singh E, Pathak A, Singh RP, Muthukumaran J and Singh AK.	2020	Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2'-O-ribose methyltransferase	*J. Biomol. Struct. Dyn.*	1–14.	Scopus, SCI, Pubmed, WoS)	Taylor & Francis
19	Amera, GM., Khan,RJ., Jha, KR, Pathak, A., Muthukumaran, J and Singh, AK	2020	Computer Aided Ligand Based Screening for Identification of Promising Molecules against Enzymes Involved in Peptidoglycan Biosynthetic Pathway from Acinetobacter baumanni	*Microbial Pathogenesis*	147:104205	Scopus, SCI, Pubmed, WoS	Elsevier, Science Direct
18	Khan RJ, Jha RK, Amera GM, Jain M, Singh E, Singh RP, Muthukumaran J, Singh AK	2020	Computational perspective towards understanding the inhibitory mechanism of Lactoperoxidase by Dapsone and Propofol: insights from molecular docking and molecular dynamics simulation studies	Journal of Computer aided Drug Design	Accepted	Scopus, SCI, Pubmed, WoS	Bentham Science
17	Jain, M., Muthukumaran,J., and Singh AK	2020	Structural and Functional characterization of Chitin binding Lectin from Datura stramonium: Insights from Phylogenetic analysis, Protein structure prediction, Molecular docking and Molecular dynamics simulation.	J. Biomol. Struct. Dyn.	1-33	Scopus, SCI, Pubmed, WoS	Taylor & Francis
16	Amera, GM., Khan, RJ.,Pathak, A., Jha, RK., Muthukumaran, J, and Singh, AK	2020	Systematic route to identify the potential drug targets from Acinetobacter species: Insights from molecular phylogeny, primary sequence and structural analysis.	Journal of Genetic Engineering and Biotechnology	(Under Revision)	Scopus, SCI, Pubmed	Springer
15	Amera, GM., Khan, RJ.,Pathak, A., Jha, RK., Muthukumaran, J, and Singh, A	2020	Structure based drug designing and discovery of putative inhibitors against UDP-N-acetylenolpyruvoylglucosaminereductase (MurB) drug target in multi-drug resistant Acinetobacterbaumannii (strain AYE)	J. Mol. Graph. and Model.	(Under Revision)	Scopus, SCI, Pubmed, WoS	Elsevier, Science Direct
14	Jain, M., Muthukumaran, J., and Singh AK	2020	Comparative Structural and Functional Analysis of STL and SLL, Chitin-Binding Lectins from Solanum spp.	J. Biomol. Struct. & Dyn.	(Under Revision)	Scopus, SCI, Pubmed, WoS	Elsevier, Science Direct
13	Amera, GM., Khan, RJ., Pathak, A., Jha, RK., Muthukumaran, J, and Singh, AK	2019	Screening of Promising Molecules against MurG as Drug Target in Multi-Drug-Resistant- Acinetobacter baumannii - Insights from Comparative Protein Modeling, Molecular Docking and Molecular Dynamics Simulation.	J. Biomol. Struct. & Dyn.	1-37.	Scopus, SCI, Pubmed, WoS	Taylor & Francis
12	Amera, GM., Khan,RJ., Pathak, A., Kumar, A., and Singh, AK	2019	Structure based in-silico study on UDP-N-acetylmuramoyl-L-alanyl-Dglutamate-2,6diaminopimelate ligase (MurE) from Acinetobacterbaumannii as a drug target against nosocomial infections.	Informatics in Medicine Unlocked	16(2019)	Scopus	Elsevier, Science Direct
11	Sirohi H. V., Singh. P.K., Iqbal, N., Sharma, P., Singh, A.K., Kaur, P., Sharma, S., and Singh, T. P.	2017	Design of anti-thyroid drugs: Binding studies and structure determination of the complex of lactoperoxidase with 2-mercaptoimidazole at 2.30 Å resolution	Proteins	85(10):1882-1890.	Scopus, SCI, Pubmed, WoS	Wiley Online Library
10	Singh, R.P., Singh A., Sirohi, H., Singh A.K. ,Kaur, P., Sharma, S. and Singh, T.P	2016	Dual binding mode of antithyroid drug methimazole to mammalian heme peroxidases: structural determination of the lactoperoxidase–methimazole complex at 1.97Å resolution	*FEBS openbio*	14;6(7):640-50	Scopus, Pubmed, WoS	FEBS Press Wiley Online Library
9	Sharma, S, Singh A.K.,Kaushik, S., Sinha, M., Singh, R.P., Sharma, P., Sirohi, H., Kaur, P. and Singh, T.P.	2013	Lactoperoxidase: Structural Insights into the Function, Ligand Binding and Inhibition.	*Int. J. Biochem. Mol. Biol.*	4(3), 108-128.	Pubmed, Google Scholar	e-Century Publishing
8	Singh A.K., Smith, M.L., Yamini S., Ohlsson, P., Sinha, M., Kaur, P., Sharma, S.,Paul., A.K., Singh, T.P. and Paul, K.G.	2012	Bovine Carbonyl Lactoperoxidase Structure at 2.0Å Resolution and Infrared Spectra as a Function of pH	Protein J.	31(7), 598-608.	Scopus, Pubmed	Springer
7	Singh, A.K., Pandey, N., Sinha, M., Kaur, P., Sharma, S. and Singh, T. P	2011	Structural evidence for the order of preference of inorganic substrates in mammalian heme peroxidases: crystal structure of the complex of lactoperoxidase with four inorganic substrates, SCN^-, I^-, Br^- and Cl^-	*Int. J. Biochem. Mol. Biol.*	2, 328-339.	Pubmed, Google Scholar	e-Century Publishing
6	Singh, A.K., Singh, N., Tiwari, A., Sinha, M., Kushwaha, G.S., Kaur, P., Srinivasan, A., Sharma, S. and Singh, T.P.	2010	First structural evidence for the mode of diffusion of aromatic ligands and ligand-induced closure of the hydrophobic channel in heme peroxidases	*J. Biol. Inorg. Chem.*,	15, 1099-1107	Scopus, SCI, Pubmed, WoS	Springer
5	Singh, A.K., Kumar, R.P., Pandey, N., Singh, N., Sinha, M., Bhushan, A., Kaur, P., Sharma, S. and Singh, T.P.	2010	Mode of binding of the tuberculosis prodrug isoniazid to peroxidases: Crystal structure of bovine lactoperoxidase with isoniazid at 2.7 Å resolution	*J. Biol. Chem*	285, 1569-1576.	Scopus, SCI, Pubmed, WoS	ASBMB (American Society for Biochemistry and Molecular Biology)
4	Singh, A.K., Singh, N., Sinha, M., Bhushan, A., Kaur, P., Srinivasan, A., Sharma, S. and Singh, T.P	2009	Binding modes of aromatic ligands to mammalian heme peroxidases with associated functional implications: crystal structures of lactoperoxidase complexes with acetylsalicylic acid, salicylhydroxamic acid, and benzylhydroxamic acid.	*J. Biol. Chem*	284, 20311-20318.	Scopus, SCI, Pubmed, WoS	ASBMB (American Society for Biochemistry and Molecular Biology)
3	Sheikh, I.A., Singh, A.K., Singh, N., Sinha, M., Singh, S.B., Bhushan, A., Kaur, P., Srinivasan, A., Sharma, S. and Singh, T.P.	2009	Structural evidence of substrate specificity in mammalian peroxidases: structure of the thiocyanate complex with lactoperoxidase and its interactions at 2.4 Å resolution	*J. Biol. Chem*	284, 14849-14856	Scopus, SCI, Pubmed, WoS	ASBMB (American Society for Biochemistry and Molecular Biology)
2	Singh, A.K., Singh, N., Sharma, S., Shin, K., Takase, M., Kaur, P., Srinivasan, A. and Singh, T.P.	2009	Inhibition of lactoperoxidase by its own catalytic product: crystal structure of the hypothiocyanate-inhibited bovine lactoperoxidase at 2.3 Å resolution	*Biophys. J.,*	96, 646-654.	Scopus, SCI, Pubmed, WoS	Cell Press
1	Singh, A.K., Singh, N., Sharma, S., Singh, S.B., Kaur, P., Bhushan, A., Srinivasan, A. and Singh, T.P.	2008	Crystal structure of lactoperoxidase at 2.4 Å resolution	*J. Mol. Biol.*,	376, 1060-1075	Scopus, SCI, Pubmed, WoS	Elsevier, Science Direct

Proceedings:

S.N

Authors

Year

Title

Journal

Vol, /Page No../DOI

Indexing

Publisher

1

Santani, R., Kaushik, S., Singh, AK., and Singh, TP

2012

Structural Basis of the Specific Functions of Proteins Secreted from Mammary Gland during Different Progressive Stages such as Proliferative, Early-Lactation, Late-Lactation and Involution Phases

Biophysical Journal

(Proceedings)

02(3):252 DOI: 10.1016/j.bpj.2011.11.1392

Scopus, SCI, Pubmed, WoS

Cell Press

2

Kaur, P., Pandey, N., Singh, AK., Sinha, M, Sharma, S and Singh, TP.

2011

First structural evidence for the order of preference of inorganic substrates by lactoperoxidase

Acta Cryst. Section A

67(a1):C768-C769

Scopus, SCI, Pubmed,

Acta Cryst and IUCr

Book Chapter:

S.N.	Authors	Year	Title of Chapter	Book	ISBN	Publisher
1	Singh, A.K., Pandey, N., Sinha., M., Sharma, S., and Singh, T.P.	2012	Mammalian Heme Peroxidases and Mycobacterium tuberculosis	Understanding Tuberculosis - Deciphering the Secret Life of the Bacilli	ISBN: 978-953-307-946-2	INTECH Open Access Publisher

Research Grants:

S.N.	Title	Amount (in lakhs)	Funding Agency	Start Date	End date	Status
1	Structural and Functional Characterization of Mur Family Proteins: A Rationale Approach for Designing Potent Inhibitors against Acinetobacter baumannii.	47	Indian Council of Medical Research (ICMR), New Delhi	-	-	Yet to start
2.	Role of mammalian peroxidases in mammary carcinogenesis: Structural and functional studies of lactoperoxidase in complex with potential aromatic carcinogens.	15	Indian National Science Academy (INSA), New Delhi	01/03/2016-	28/02/2019	Completed
3	Structural and Functional Investigations of Mammalian Heme Peroxidases	23	Department of Science & Technology (DST), New Delhi	1/12/2010	31/11/2013	Completed

Reviewer of Peer Reviewed Journals:

S. No	Name of the Journals and Publishers	Publishers	Indexing
1.	Journal of Biomolecular Structure and Dynamics	Taylor and Francis	PubMed-Medline, WoS, Scopus and SCI, etc.
2.	Nature Scientific Reports	Nature Publishing Group	PubMed-Medline, WoS, Scopus and SCI, etc.
3.	Journal of Proteins and Proteomics	Springer	Google Scholar, Chemical Abstracts Service (CAS), EBSCO Discovery Service, etc.
4.	Plos One	PLOS	PubMed-Medline, WoS, Scopus and SCI, etc.

Certifications

Member of National Societies:

Biotech Research Society (BRSI),
Indian Crystallographic Association (ICA)
Indian Biophysical Society (IBS)

Certificates:

S.N.	Certificate	National/ International	Year	Agency
1	Qualified CSIR-NET-JRF	National	June, 2004	CSIR, New Delhi
2	Qualified UGC-NET-JRF	National	Dec. 2004	UGC, New Delhi
3	Qualified CSIR-NET-LS	National	June 2002	CSIR, New Delhi
4	Qualified GATE	National	2005	GATE, Examinations
5	Qualified GATE	National	2004	GATE, Examinations
6	Qualified GATE	National	2003	GATE, Examinations
7	Workshop (Protein Crystallization)	International	2014	15^h ICCBM, Hamburg, Germany
8	Workshop (Sharing the Start-up Experience)	International	2013	Israel Academy of Sciences and Humanities in Jerusalem, Israel

Conferences Attended (Selected):

Singh, A.K. (2017) Binding Modes of Aromatic Ligands to Heme Peroxidases with Associated Functional Implications: Crystal Structures of Lactoperoxidase Complexes with aromatic ligands in National Conference on “Development and Advancement in Conservation, Propagation and Sustainable Utilization of Medicinal Plants” that is to be held on 20-21 January 2017 at School of Biotechnology, Gautam Buddha University, Greater Noida, sponsored by the National Medicinal Plants Board, Government of India, Ministry of AYUSH.(Oral Presentation, Best Oral Award)
Internationl Biological Engineering Meeting (IBEM-1): Structuraland Functional Studies of Lactoperoxidase: Crystal Structures of Lactoperoxidase in Complex with aromatic ligands School of Biotechnology, Jawaharlal Nehru University, New Delh, 26-28, March, 2017
National Symposium cum Bioinformatics Workshop on "Currrent Trends in Proteomics and Bioinformatics": Structural and Functional Studies of Mammalian Heme Peroxidase: Crystal Structures of Lactoperoxidase in Complex with aromatic ligands., Interdisiplinary Biotechnology Unit, Aligarh Muslim University, Aligarh, 16-17, March, 2017 (Invited Talk)
National Symposium on Biophysics & Golden Jubilee Meeting of the Indian Biophysical Society “Crystallization and Structure Determination of Lactoperoxidase in Complex with Acetylsalicylic acid, Salicylhydroxamic acid and Benzylhydroxamic acid” held on 14-17th February 2015, in the Jamia Millia Islamia, New Delhi.
Singh, A.K., Sharma, S. & Singh, T.P. (2014) “Crystallization of lactoperoxidase in complex with acetyl salicylic acid, Salicylhydroxamic acid and benzylhydroxamic acid” in 15^h ICCBM held in Hamburg, Germany from Sep 15-21, 2014.
Singh, A.K., Sharma, S. & Singh, T.P. (2014) “Structural basis of mode of action of two frontline antituberculosis prodrugs isoniazid and pyrazinamide” in 4^thCurrent trends in structural biology and thrombosis held in All India Institute of Medical Sciences, New Delhi from Feb 27-28, 2014
Singh, A.K., Sharma, S. & Singh, T.P. (2014) “Isoniazid resistance in mycobacterium and lactoperoxidase: Structural insight to mode of binding and activation of tuberculosis prodrug isoniazid by lactoperoxidase:binding studies and crystal structure of lactoperoxidase with isoniazid at 2.7Å resolution” in X Annual Conference of IAMM, UP Microcon, 1^st Feb 2014
Attended training workshop on “Sharing the Start-up Experience” at the Israel Academy of Sciences and Humanities in Jerusalem, Israelfrom 25^th Nov to 28^th Nov 2013. Selected and nominated by Indian National Sciences Academy (INSA).
Singh, A.K., Kumar, R.P., Pandey, N., Singh, N., Sinha, M., Bhushan, A., Kaur, P., Sharma, S. & Singh, T.P. (2010) “Isoniazid resistance in mycobacterium and lactoperoxidase: Structural insight to mode of binding and activation of tuberculosis prodrug isoniazid by lactoperoxidase:bbinding studies and crystal structure of lactoperoxidase with isoniazid” at 2.7Å resolutionin 42^ndNational Seminar on Crystallography in Jawaharlal Nehru University, New Delhi Nov 21-23, 2013

Area of Interest

Rational Structure Based Drug Design
Structural and Functional Studies of Mammalian Heme Peroxidases.

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