Title Dr. First Name Durg Last Name Singh
Designation Assistant Professor
Department Department of Bioinformatics
Email dvsbiotech@gmail.com
Webpage
Phone.no 7488031175
Employement Info
Employee Type Nature Of Employment
Teaching Permanent
Educational Qualifications
Degree/Certification Name Institution Year of Completion
Ph.D. - Application of nuclear magnetic resonance computational and traditional methods for designing and development of herbal and synthetic drugs Indian Institute of Information Technology Allahabad 2012
PG Indian Institute of Information Technology Allahabad 2007
PG G.B. Pant University of Agriculture and Technology 2003
UG lucknow University 1999
SSC U.P. Board 1996
HSC U.P. Board 1994
Qualifications
Examination Name Conducting Body Date of Passing
NET CSIR-UGC 01-06-2004
Others IIT Mumbai 13-02-2005
NET CSIR-UGC 27-06-2004
NET CSIR-UGC 01-11-2003
Fellow Academies
Fellowship Academy Award Name Year Of Award
CSIR-MHRD CSIR Direct Fellowship 2010
MHRD Graduate Aptitude test for Engineeing-2005 2005
Mentorship
Student Name Student's Affiliation Mentoring Duration
Ankita Subhadarshni Parida Mentor 20-01-2022 To 30-06-2022 (5 months, 10 days)
Ravi Shankar Sharma Mentor 20-01-2022 To 30-06-2022 (5 months, 10 days)
Jyoti Murmu Mentor 20-01-2022 To 30-06-2022 (5 months, 10 days)
Yukti Singh Mentor 20-01-2022 To 30-06-2022 (5 months, 10 days)
Sreeshma Raj K Mentor 20-01-2022 To 30-06-2022 (5 months, 10 days)
Ayush Raj Mentor 15-07-2024 To 30-06-2026 (1 years, 11 months, 15 days)
Md. Danish Alam Mentor from 2024 15-07-2024 To 30-06-2026 (1 years, 11 months, 15 days)
Ram Ganesh Pandey Mentor 15-07-2024 To 30-06-2026 (1 years, 11 months, 15 days)
Subhangi Bhardwaj Mentor 15-07-2024 To 30-06-2026 (1 years, 11 months, 15 days)
Naveen Kumar Mahto Since 2023 15-07-2024 To 30-06-2025 (11 months, 15 days)
Kumari Akansha Jha Since 2023 14-10-2024 To 30-06-2025 (8 months, 16 days)
Nikhil Tripathi Since 2023 14-10-2023 To 30-06-2025 (1 years, 8 months, 16 days)
Samia Rumani Since 2023 14-10-2023 To 30-06-2025 (1 years, 8 months, 16 days)
Ankita Mondal Since 2023 14-10-2023 To 30-06-2025 (1 years, 8 months, 16 days)
Tanya Kumari Since 2023 14-10-2023 To 30-06-2025 (1 years, 8 months, 16 days)
Teaching Experience (Within Institution)
Designation Duration
Assistant professor Presently Working since 26-07-2012 (13 years, 4 months, 11 days)
Teaching Experience (Outside Institution)
Designation Institute Duration
Lecturer CSJM University Kanpur 14-10-2011 To 25-07-2012 (9 months, 11 days)
Lecturer CSJM University Kanpur 17-08-2004 To 31-05-2005 (9 months, 14 days)
Courses/Subjects Taught
Teaching Activity Type Course Title Semester Total Assigned Classes Number of Classes Taught Duration
Lecture Biochemistry and Immunology 1 60 54 24-12-2021 To 31-03-2022 (3 months, 7 days)
Practical Chemoinformatics and Drug Design 3 30 26 02-08-2021 To 31-12-2021 (4 months, 29 days)
Lecture Chemoinformatics and Drug Design 3 45 39 02-08-2021 To 31-12-2021 (4 months, 29 days)
Lecture biomolecular modelling and simulation 2 45 40 01-04-2021 To 30-07-2021 (3 months, 29 days)
Practical Biomolecular Modelling and Simulation 2 30 26 01-04-2021 To 30-07-2021 (3 months, 29 days)
Practical Biomolecular Modelling and Simulation 2 30 28 22-01-2024 To 03-05-2024 (3 months, 11 days)
Lecture Biochemistry and Molecular Biology 1 30 27 25-08-2023 To 22-12-2023 (3 months, 27 days)
Lecture Biomolecular Modelling and Simulation 2 45 41 22-01-2024 To 03-05-2024 (3 months, 11 days)
Practical Chemoinformatics and Drug Design 3 30 28 25-08-2023 To 22-12-2023 (3 months, 27 days)
Lecture Chemoinformatics and Drug Design 3 30 28 25-08-2023 To 22-12-2023 (3 months, 27 days)
Lecture Chemoinformatics and Drug Design 3 30 26 15-07-2024 To 21-11-2024 (4 months, 6 days)
Lecture Biochemistry and Molecular Biology 1 30 26 05-12-2022 To 10-03-2023 (3 months, 5 days)
Practical Chemoinformatics and Drug Design 3 30 26 22-08-2022 To 03-12-2022 (3 months, 11 days)
Lecture Chemoinformatics and Drug Design 3 45 42 22-08-2022 To 03-12-2022 (3 months, 11 days)
Practical Application of Bioinformatics 3 60 60 25-08-2023 To 22-12-2023 (3 months, 27 days)
Practical Application of Bioinformatics 3 60 60 15-07-2024 To 21-11-2024 (4 months, 6 days)
Professional Body Associations
Professional Agency Name Name of Activity Year of Association
Indain socoety of pest management Member 2017
Indian science Congress Member 2014
Indian Society of Weed Science Member 2016
Research Supervision Overview
PhD Scholars Supervised PhD Degrees Awarded Theses Submitted
2 0 1
M.Phil Scholars Supervised M.Phil Degrees Awarded M.Phil Theses Submitted
0 19 0
Research Publications
Title of Article Type of Publication Name of Journal ISSN Journal Volume Year Link to Article DOI (Digital Object Identifier)
Physicochemical parameters for design and development of lead herbicide molecule: Is ‘Lipinski's rule of 5’appropriate for herbicide discovery? Research Papers in Web of Science Listed Journals Pest Management Science 1526-4998 79 DOI 10.1002/ps.7367 https://doi.org/10.1002/ps.7367
Sequence and structural similarities of ACCase protein of Phalaris minor and wheat: An insight to explain herbicide selectivity Research Papers in Web of Science Listed Journals Frontiers in plant Science 13 https://doi.org/10.3389/fpls.2022.1056474

Fluorine-a small magic bullet atom in the drug development: perspective to FDA approved and COVID-19 recommended drugs Research Papers in Web of Science Listed Journals Chemical Papers Print ISSN 0366-6352 77 https://doi.org/10.1007/s11696-023-02804-5
Synthesis of hybrid azobenzene-chalcone dyes and studies on their photophysical properties: Molecular Recognition of carbonate and phosphate ions using a novel turn-off … Research Papers in Web of Science Listed Journals Journal of Molecular Structure 1306 https://doi.org/10.1016/j.molstruc.2024.137839 https://doi.org/10.1016/j.molstruc.2024.137839
6-Ethoxy-4- N-(2-morpholin-4-ylethyl) -2-N-propan-2-yl-1,3, 5-triazine-2, 4-diamine endows herbicidal activity against Phalaris minor a weed of wheat crop field: An in -silico and experimental approaches of herbicide discovery Research Papers in Web of Science Listed Journals Journal of Molecular Modeling Print ISSN: 1610-2940 Online ISSN: 0948-5023​ 28 https://doi.org/10.1007/s00894-021-05006-6 https://doi.org/10.1007/s00894-021-05006-6
Computational study of curcumin analogues by targeting DNA topoisomerase II: a structure-based drug designing approach Research Papers in Web of Science Listed Journals Netw Model Anal Health Inform Bioinforma https://doi.org/10.1007/s13721-018-0179-8
S-Adenosyl-L-homocysteine hydrolase: Its Inhibitory Activity against Plasmodium falciparum and Development of Malaria Drugs. Research Papers in Web of Science Listed Journals Mini Rev Med Chem https://doi.org/10.2174/1389557521666201218155321
A review on dynamics of Permeability-glycoprotein (P-gp) in efflux of chemotherapeutic drugs Review Articles Frontiers in drug Discovery 4 https://doi.org/10.3389/fddsv.2024.1363364 https://doi.org/10.3389/fddsv.2024.1363364
Binding mode of aryloxyphenoxypropionate (FOP) and cyclohexanedione (DIM) groups of herbicides at the carboxyl transferase (CT) domain of Acetyl-CoA carboxylase of Phalaris minor Research Papers in Web of Science Listed Journals Network Modeling Analysis in Health Informatics and Bioinformatics https://doi.org/10.1007/s13721-019-0190-8
Flap sub-domain dynamics of serine-threonine phosphatase (Stp1) of Staphylococcus aureus: an accelerated molecular dynamics simulation study Research Papers in Web of Science Listed Journals Journal of Biomolecular structure and Dynamics https://doi.org/10.1080/07391102.2022.2107575 https://doi.org/10.1080/07391102.2022.2107575
A Spectroscopic and Molecular Simulation Approach toward the Binding Affinity between Lysozyme and Phenazinium Dyes: An Effect on Protein Conformation Research Papers in Scopus Listed Journals The Journal of Physical Chemistry B https://doi.org/10.1021/acs.jpcb.6b10991
Isoproturon tolerance and resistance in Phalaris minor: Sequence and Structural similarity in Phalaris minor and wheat D1 protein Research Papers in Peer Reviewed Journals Pesticide research journal 10.5958/2249-524X.2018.00039.0
Molecular modeling and computational simulation of the photosystem-II reaction center to address isoproturon resistance in Phalaris minor Research Papers in Peer Reviewed Journals Journal of Molecular modelling https://doi.org/10.1007/s00894-012-1386-3
3D QSAR and pharmacophore study of curcuminoids and curcumin analogs: interaction with thioredoxin reductase Research Papers in Peer Reviewed Journals Interdiscip Sci Comput Life Sci https://link.springer.com/content/pdf/10.1007/s12539-013-0177-6.pdf DOI: 10.1007/s12539-013-0177-6
Biochemical and Molecular Mechanisms of Resistance Against Isoproturon in Phalaris minor: Variations in Protein and RAPD Profiles of Isoproturon Resistant and Sensitive Phalaris minor Biotypes Research Papers in Peer Reviewed Journals Indian Journal of Weed Science
A plausible explanation for enhanced bioavailability of P-gp substrates in presence of piperine: simulation for next generation of P-gp inhibitors Research Papers in Peer Reviewed Journals Journal of Molecular modelling https://link.springer.com/article/10.1007/s00894-012-1535-8#citeas https://doi.org/10.1007/s00894-012-1535-8
Mechanism of isoproturon resistance in Phalaris minor: in silico design, synthesis and testing of some novel herbicides for regaining sensitivity Research Papers in Peer Reviewed Journals Journal of Molecular modelling https://doi.org/10.1007/s00894-011-1169-2
Computation-based virtual screening for designing novel antimalarial drugs by targeting falcipain-III A structure-based drug designing approach Research Papers in Peer Reviewed Journals Journal of Vector Borne Diseases https://journals.lww.com/jvbd/fulltext/2013/50020/Computation_based_virtual_screening_for_designing.3.aspx
Curcumin Conjugates Induce Apoptosis Via a Mitochondrion Dependent Pathway in MCF-7 and MDA-MB-231 Cell Lines Research Papers in Peer Reviewed Journals Asian Pacific Journal of Cancer Prevention https://doi.org/10.7314/apjcp.2013.14.10.5797

In silico modelling and molecular dynamics simulation studies of thiazolidine based PTP1B inhibitors Research Papers in Peer Reviewed Journals Taylor and Francis https://doi.org/10.1080/07391102.2017.1317026
P-Glycoprotein: A Critical Comparison of Models Depicting Mechanism of Drug Efflux and Role of Modulators Research Papers in Peer Reviewed Journals Proceedings of the National Academy of Sciences, India Section B: Biological Sciences https://doi.org/10.1007/s40011-014-0405-9
Docking and in silico ADMET studies of noraristeromycin, curcumin and its derivatives with Plasmodium falciparum SAH hydrolase: A molecular drug target against malaria Research Papers in Peer Reviewed Journals Interdiscip Sci Comput Life Sci https://link.springer.com/content/pdf/10.1007/s12539-013-0147-z.pdf DOI: 10.1007/s12539-013-0147-z
Curcuminoids as inhibitors of thioredoxin reductase: a receptor based pharmacophore study with distance mapping of the active site Research Papers in Peer Reviewed Journals Bioinformation https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2859574/ doi: 10.6026/97320630004187
Plant polyphenols as electron donors for erythrocyte plasma membrane redox system: validation through in silico approach Research Papers in Peer Reviewed Journals Organic and Medicinal Chemistry Letters https://doi.org/10.1186/2191-2858-2-12
Study of interaction of human serum albumin with curcumin by NMR and docking Research Papers in Peer Reviewed Journals Journal of Molecular modelling https://doi.org/10.1007/s00894-014-2365-7
Structural elucidation of transmembrane domain zero (TMD0) of EcdL: a multidrug resistance-associated protein (MRP) family of ATP-binding cassette transporter protein revealed by atomistic simulation Research Papers in Peer Reviewed Journals Journal of biomolecular structure and dynamics https://doi.org/10.1080/07391102.2017.1372311
Virtual screening and molecular dynamics simulations of phytochemicals targeting cofactor-independent phosphoglycerate mutase in antimicrobial-resistant Mycoplasma genitalium Research Papers in Web of Science Listed Journals 3 Biotech 14 https://link.springer.com/article/10.1007/s13205-024-04082-8 https://doi.org/10.1007/s13205-024-04082-8
Computational evaluation of phytochemicals targeting DNA topoisomerase I in Leishmania donovani: molecular docking and molecular dynamics simulation studies Research Papers in Web of Science Listed Journals Journal of Biomolecular Structure and Dynamics Print 0739-1102 Online ISSN: 1538-0254 42 https://doi.org/10.1080/07391102.2023.2256865 https://doi.org/10.1080/07391102.2023.2256865
In Silico Evaluation and Simulation-Based Prioritization of Herbicide-like Compounds Targeting Phalaris minor Acetyl-CoA Carboxylase Research Papers in Web of Science Listed Journals Agricultural Science and Technology 2692-1952 doi.org/10.1021/acsagscitech.4c00635 doi.org/10.1021/acsagscitech.4c00635
Non-Journal Publications
Title of Publication Type of Publication Publisher Role ISBN Year Link to Publication Level
Applications of Molecular Dynamics Simulation and MM-PBSA Methods in Discovery of Veterinary Drugs Chapters in Books Springer Author ISBN 978-981-97-7394-7 ISBN 978-981-97-7395-4 (eBook) International
Research Projects
Project Title Project Type Year Of Sanction Outcome/Output Duration
Design and development of herbicide to regain sensitivity in P. minor resistance biotypes Major 2016 publication and patent 21-09-2016 To 20-09-2019 (2 years, 11 months, 30 days)
Design and Development of herbicide against carboxyl-terminal (CT) domain of ACCase of P.minor to regain resistivity in resistance biotypes Minor 2014 Publication 20-12-2014 To 19-12-2015 (11 months, 29 days)
Design and development of inhibitor against nucleotide binding domain of p-gp for enhancing bio-availability and reversal of multi-drug resistance Minor 2013 Publication 28-05-2013 To 27-05-2015 (1 years, 11 months, 29 days)
Development of herbicides against Acetyl CoA Carboxylase to address resistance and cross resistance against Phalaris minor: A weed of wheat crop field Major 2021 research publication Ongoing since 22-11-2021 (4 years, 15 days)
Rational approach of antibiotic discovery and development against, a Staphylococcus aureus Serine/Threonine Phosphatase (STP1) protein: a novel target for gram positive bacterial infection Major 2020 Research publication 01-11-2020 To 31-10-2023 (2 years, 11 months, 30 days)
Professional Development Programmes
Programme Title Sponsoring Institution Organizing Institution Role Type of Programme
Workshop on Molecular Docking Virtual Screening and Computational Biology DBT and Department of Pharmaceuticals NIPER Hyderabad Resource Person Faculty Development Programmes
UGC sponsered Refresher course in Life Sciences and Biotechnology UGC Sponsered Jawaharlal Nehru University Attendee Refresher Program
Honors and Awards
Name of the Award Awarding Body Award Category Level Award Date
Best Poster Award Indian Society of Pesticide Research National 16-11-2019
Best Paper presentation Award Society of Microbiologist Research National 25-03-2009
Patents
Patent Title Patent Number Patent Level Patent Status
6-ETHOXY-4-N-(2-MORPHOLIN-4-YLETHYL)-2-N-PROPAN-2-YL-1,3,5-TRIAZINE-2,4-DIAMINE ENDOWED WITH HERBICIDAL ACTIVITY AGAINST SUSCEPTIBLE AND RESISTANT BIOTYPES OF PHALARIS MINOR 202031045338 National Published
An efficient process of preparation of morpholino-1,3,5-triazine derivatives with a potential for herbicidal activity 20233107814 National Published
Talk Poster Presented
Name of the Activity Role Date of Activity
Invited Talk Speaker 28-01-2021
Invited Talk Speaker 01-03-2017
paper presented Speaker 16-01-2017
Invited Talk Speaker 20-11-2019
Session Chair Chair 12-02-2016
invited Talk Speaker 30-01-2024
Invited talk Speaker 14-03-2023
Invited Talk Speaker 23-05-2013
Seminar / Conference Details / Workshops
Type of Activity Name of The Event Role Duration
Workshops Drug Discovery through Bioinformatics Workshops 02-11-2023 To 03-11-2023 (1 days)
Workshops National Workshop on Sequence and Phylogenetic Analysis Workshops 14-09-2023 To 15-09-2023 (1 days)
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