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Dr. Amit Kumar Singh

HOD & Associate Professor, Biotechnology

amitk.singh@sharda.ac.in

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

15h 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 15h 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 4thCurrent 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, 1st Feb 2014
  • Attended training workshop on “Sharing the Start-up Experience” at the Israel Academy of Sciences and Humanities in Jerusalem, Israelfrom 25th Nov to 28th 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 42ndNational 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.