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Dr. Anil Kumar S.

Assistant Professor, Dept. of Chemistry, School of Engineering, Bengaluru

Qualification: MSc, Ph.D
s_anilkumar@blr.amrita.edu
Anil Kumar S's Google Scholar Profile
Research Interest: Computer-aided Drug Design, Design, Synthesis, and biological evaluation of novel drugs for viruses with pandemic potential, Design, Synthesis, and biological evaluation of antitubercular drugs, Insilico studies of drug impurities – to explore the possibility of converting them to potential drug systems, Layered double hydroxide-based electro-catalysts – Computational studies.

Bio

Dr. Anil Kumar S. is a passionate educator with a flair for technical research, and expertise in Analytical, Computational, and Pharmaceutical Chemistry. He is currently serving as Selection Grade Assistant Professor at the Department of Chemistry, School of Engineering, Amrita Vishwa Vidyapeetham, Bengaluru. He carries out fundamental research that can be translated into improved approaches for the computational and structural exploration of therapeutically important molecules.

During his doctoral studies, he focused on the design and computational exploration of Drug Impurities and gained expertise in various aspects of drug development. He possesses a deep understanding of the drug discovery process, from target identification and lead optimization to preclinical evaluations. He has expertise in utilizing various computational tools and techniques for virtual screening, molecular docking, and structure-activity relationship (SAR) based drug design.

Currently, Dr. Kumar is actively involved in the design and synthesis of small molecules with desirable pharmacokinetic properties and target selectivity as antiviral and antitubercular drugs.

Publications

Journal Article

Year : 2022

Development of a Spectroscopic Method for the Determination of Oxcarbazepine using Green Synthesized Silver Nanoparticles

Cite this Research Publication : Amrita Thakur and S. Anil Kumar, Development of a Spectroscopic Method for the Determination of Oxcarbazepine using Green Synthesized Silver Nanoparticles, ECS Transactions, 107 (1) 16049-16056 (2022)

Publisher : ECS Transactions

Year : 2022

Computational, Spectral and Bioavailability Studies of Venlafaxine Cyclic Impurity

Cite this Research Publication : S. Anil Kumar and B. L. Bhaskar, Computational, Spectral and Bioavailability Studies of Venlafaxine Cyclic Impurity, ECS Transactions, 107 (1) 13439-13449 (2022)

Publisher : ECS Transactions

Year : 2021

Preliminary Investigation of Drug Impurities Associated with the Anti-influenza Drug Favipiravir – An Insilico Approach

Cite this Research Publication : S. Anil Kumar, B.L. Bhaskar, Preliminary investigation of drug impurities associated with the anti-influenza drug Favipiravir – An insilico approach, Computational and Theoretical Chemistry, 1204 (2021) 113375

Publisher : Computational and Theoretical Chemistry

Year : 2021

Development and validation of two spectrophotometric methods for the estimation of Dronedarone impurity molecule:

Cite this Research Publication : B.L. Bhaskar and S. Anil Kumar, “Development and validation of two spectrophotometric methods for the estimation of Dronedarone impurity molecule:”, Materials Today Proceedings., 2021.

Publisher : Materials Today Proceedings.

Year : 2019

Computational and spectral studies of 3,3′-(propane-1,3-diyl)bis(7,8-dimethoxy-1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one)

Cite this Research Publication : S. Anil Kumar and B.L. Bhaskar, “Computational and spectral studies of 3,3'-(propane-1,3-diyl)bis(7,8-dimethoxy-1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one)”, Heliyon, vol. 5, p. e02420, 2019.

Publisher : Heliyon,

Year : 2019

Spectroscopic and Computational approach for the Structure – Property relationship of Hydantoin drug impurity : 1-methyl-5,5-diphenylimidazolidine-2, 4-dione

Cite this Research Publication : S. Anil Kumar and B.L. Bhaskar, “Spectroscopic and Computational approach for the Structure - Property relationship of Hydantoin drug impurity : 1-methyl-5,5-diphenylimidazolidine-2, 4-dione”, IOP Conference Series: Materials Science and Engineering, vol. 577, p. 012180, 2019.

Publisher : IOP Conference Series: Materials Science and Engineering

Year : 2019

Spectroscopic and volumetric techniques for the estimation of ivabradine impurity 3,3′-(propane-1,3-diyl)bis(7,8-dimethoxy-1,3,4,5-tetrahydro-2hbenzo[ d]azepin-2-one)

Cite this Research Publication : S. Anil Kumar and B.L. Bhaskar, “Spectroscopic and volumetric techniques for the estimation of ivabradine impurity 3,3'-(propane-1,3-diyl)bis(7,8-dimethoxy-1,3,4,5-tetrahydro-2hbenzo[ d]azepin-2-one)”, International Journal of Applied Pharmaceutics, vol. 11, pp. 216-218, 2019.

Publisher : International Journal of Applied Pharmaceutics

Year : 2018

Structural elucidation of antihemorrhage drug molecule Diethylammonium 2,5-dihydroxybenzene sulfonate – an insilico approach

Cite this Research Publication : S. Anil Kumar and B.L. Bhaskar, “Structural elucidation of antihemorrhage drug molecule Diethylammonium 2,5-dihydroxybenzene sulfonate - an insilico approach”, IOP Conference Series: Materials Science and Engineering, vol. 310, p. 012124, 2018.

Publisher : IOP Conference Series: Materials Science and Engineering

Year : 2017

Spectrophotometric evaluation of trace level chromium in alloy steel

Cite this Research Publication : B.L. Bhaskar, S. Anil Kumar, and Dr. T. M. Mohan Kumar, “Spectrophotometric evaluation of trace level chromium in alloy steel”, Asian Journal of Chemistry, vol. 29, pp. 1917-1919, 2017.


Publisher : Asian Journal of Chemistry, Chemical Publishing Co

Year : 2017

Spectrophotometric evaluation of nimesulide impurity d: 4-nitro-2-phenoxyaniline using 8-hydroxyquinoline as oxidative coupling reagent

Cite this Research Publication : S. Anil Kumar and B.L. Bhaskar, “Spectrophotometric evaluation of nimesulide impurity d: 4-nitro-2-phenoxyaniline using 8-hydroxyquinoline as oxidative coupling reagent”, Asian Journal of Pharmaceutical and Clinical Research, vol. 10, pp. 204-206, 2017.



Publisher : Asian Journal of Pharmaceutical and Clinical Research, Innovare Academics Sciences Pvt. Ltd,

Year : 2017

Molecular and Matrix-Assisted Laser Desorption Ionization-Time of Flight Mass Spectrometry-Based Characterization of Clinically Significant Melanized Fungi in India.

Cite this Research Publication : A. Singh, Singh, P. Kumar, Kumar, A., Chander, J., Khanna, G., Roy, P., Meis, J. F., and Chowdhary, A., “Molecular and Matrix-Assisted Laser Desorption Ionization-Time of Flight Mass Spectrometry-Based Characterization of Clinically Significant Melanized Fungi in India.”, J Clin Microbiol, vol. 55, no. 4, pp. 1090-1103, 2017.

Publisher : J Clin Microbiol,

Year : 2013

Phenotypic screening of resistance mechanism in S.aureus

Cite this Research Publication : Anil kumar, “Phenotypic screening of resistance mechanism in S.aureus”, Indian J Med Res, pp. 31-32, 2013.

Publisher : Indian J Med Res

Year : 2012

Dibenzazepin hydrochloride as a new spectrophotometric reagent for determination of hydrogen peroxide in plant extracts

Cite this Research Publication : Pa Nagaraja, Prakash, J. Sb, Asha, S. Cb, B.L. Bhaskar, and S. Anil Kumar, “Dibenzazepin hydrochloride as a new spectrophotometric reagent for determination of hydrogen peroxide in plant extracts”, Environmental Monitoring and Assessment, vol. 184, pp. 5983-5988, 2012.

Publisher : Environmental Monitoring and Assessment

Year : 2011

A facile and rapid HPLC method for the determination of atenolol in pharmaceutical formulations

Cite this Research Publication : B.L. Bhaskar, S. Anil Kumar, and Kumar, U. RbAnil, “A facile and rapid HPLC method for the determination of atenolol in pharmaceutical formulations”, Asian Journal of Applied Sciences, vol. 4, pp. 306-313, 2011.

Publisher : Asian Journal of Applied Sciences

Conference Paper

Year : 2011

Novel spectrophotometric method for the determination of pindolol in pharmaceutical samples

Cite this Research Publication : Pa Nagaraja, Kumar, H. R. Aa, B.L. Bhaskar, and S. Anil Kumar, “Novel spectrophotometric method for the determination of pindolol in pharmaceutical samples”, in AIP Conference Proceedings, Calicut, Kerala, 2011, vol. 1391, pp. 369-371.

Publisher : AIP Conference Proceedings

Book Chapter

Year : 2023

Carbon dioxide Sequestration, Conversion and Utilization

Cite this Research Publication : ‘Carbon dioxide sequestration, conversion and utilization’, Handbook of Emerging Materials for Sustainable Energy, Elsevier publications, 1st Edition, 2023

Publisher : Elsevier publications

Invited Talks
  • Delivered a keynote talk on Computer Aided Drug Design at the International Conference on Emerging Trends in Basic and Applied Science, organized by SCMS College of Engineering and Technology, Ernakulam on December 17, 2021.
  • Delivered an invited talk in the one-day workshop on ” Engineering Physics and Chemistry in Virtual Laboratory organized by Ghani Khan Choudhury Institute of Engineering and Technology, Malda on 4th August 2020.
Ph.D. Guideship
Sl No Scholar Role Tentative title
1. Amol P Gunjal Thesis Advisor Design and synthesis of fused ring heterocyclic molecules as Tuberculosis drug systems.
2. Thejus Thomas Varghese Thesis Co-advisor Computational studies of potential natural product-mimetic as antiviral drug systems.
3. Parvathi Bhaskaran Thesis Co-advisor Spectrophotometric Estimation and Computational Exploratory Studies of Therapeutically Important Molecules.
4. Jimi K J Thesis Advisor Layered double hydroxide-based electro-catalysts.
Courses Taught
  • Engineering Chemistry
  • Environmental Science
  • Molecular Modelling & Simulation
  • Application of Computational Chemistry
  • Fuel cells – Principles & Applications
  • Advanced Engineering materials
  • Corrosion Science
Student Guidance

Research Scholars

Sl. No. Name of the Student(s) Topic Status – Ongoing/Completed Year of Completion
1 Amol P Gunjal Design and synthesis of fused ring heterocyclic molecules as Tuberculosis drug systems. Ongoing
2 Thejus Thomas Varghese (Co-advisor) Computational studies of potential natural product-mimetic as antiviral drug systems. Ongoing
3 Parvathi Bhaskaran (Co-advisor) Spectrophotometric Estimation and Computational Exploratory Studies of Therapeutically Important Molecules. Ongoing
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