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Dr. Vasavi C. S

Assistant Professor (Senior Grade) , School of Artificial Intelligence, Amrita Vishwa Vidyapeetham, Bengaluru

Qualification: M.Tech., Ph.D
cs_vasavi@blr.amrita.edu
Research Interest: Application of Artificial Intelligence and Machine learning in Healthcare
Development of a large scale dataset that can be helpful for accelerating drug discovery through AI/ML approaches.
Homology Modelling, Docking, Molecular dynamics simulations and Binding Free energy calculations.


Bio

Dr. Vasavi C.S. is an Assistant Professor (Senior) at the School of Artificial Intelligence, Amrita Vishwa Vidyapeetham. She holds over 5+ years of experience in teaching. Prior to her current position at Amrita, Dr. Vasavi served as a Project Scientist at IHub-Data, IIIIT-Hyderabad from 2021 to 2023. She completed her Ph.D in Bioinformatics from Vellore Institute of Technology (VIT), Vellore in 2021. Her research interest lies in deciphering the resistance mechanism of viral proteins using CADD methods (Homology Modelling, Docking, Molecular dynamics simulations and Binding Free energy calculations). Additionally, she is also interested in applying Machine Learning methods/Deep learning models to handle the real world problems related to drug discovery. To date, she has contributed to the development of a large scale MD based protein-ligand affinity dataset that can be helpful for accelerating drug discovery through AI/ML approaches.
Her research works have been published in reputed journals namely Sci. Data., J. Biomol. Struct. Dyn., J. Mol. Graph., Bioorg. Med. Chem., Int. J. Biol. Macromol., ChemistrySelect, J. Photochem. Photobiol.B,Biol., Appl.Organomet.Chem., InorganicaChim.Acta.

Publications

Journal Article

Year : 2022

PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications

Cite this Research Publication : Divya Korlepara, Vasavi C.S., Shruti Jeurkar, Pradeep Pal, Subhajit Roy, Sarvesh Mehta, Shubham Sharma, Vishal Kumar, Charuvaka Muvva, Bhuvanesh Sridharan, Akshit Garg, Rohit Modee, Agastya Bhati, Divya Nayar, and U Deva Priyakumar. PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications, Scientific Data 2022; 9:548,1-9
Nature, Impact factor:8.50

Year : 2019

Design, synthesis and identification of novel coumaperine derivatives for inhibition of human 5-LOX: Antioxidant, pseudoperoxidase and docking studies

Cite this Research Publication : Muthuraman S, Sinha S, Vasavi CS, Waidha KM, Basu B, Munussami P, Balamurali M.M, Doble M, Saravana Kumar R, Design, synthesis and identification of novel coumaperine derivatives for inhibition of human 5-LOX: Antioxidant, pseudoperoxidase and docking studies. Bioorganic & Medicinal, Chemistry 2019; 27:604-61
Elsevier, Impact Factor: 3.46

Year : 2019

Exploring the drug resistance mechanism of active site, non-active site mutations and their cooperative effects in CRF01_AE HIV-1 protease: molecular dynamics simulations and free energy calculations

Cite this Research Publication : Vasavi CS, Tamizhselvi R, Munusami P. Exploring the drug resistance mechanism of active site, non-active site mutations and their cooperative effects in CRF01_AE HIV-1 protease: molecular dynamics simulations and free energy calculations, Journal of Biomolecular Structure and Dynamics 2019; 37: 2608–2626
Taylor & Francis, Impact Factor: 5.23

Year : 2018

Biological Evaluation of Synthesized N-Cinnamoyl Phenothiazine Derivatives

Cite this Research Publication : Selvendran S, Brindha J, Vasavi CS, Munusami P, Pattusamy N, Chanda K, Balamurali M.M Rajendran S. Biological Evaluation of Synthesized N-Cinnamoyl Phenothiazine Derivatives,
Chemistry Select 2018; 3: 13063–13069, Wiley-VCH, Impact Factor: 2.31

Year : 2017

Evaluation of DNA/Protein interactions and cytotoxic studies of copper(II) complexes incorporated with N, N donor ligands and terpyridine ligand,

Cite this Research Publication : Tummalapalli K, Vasavi CS, Munusami P, Pathak M, Balamurali M.M. Evaluation of DNA/Protein interactions and cytotoxic studies of copper(II) complexes incorporated with N, N donor ligands and terpyridine ligand, International Journal of Biological Macromolecules, 2017 ; 95: 1254-1266, Elsevier, Impact Factor: 8.02

Year : 2017

Drug Resistance Mechanism of L10F, L10F/N88S and L90M mutations in CRF01_AE HIV-1 protease: Molecular dynamics simulations and binding free energy calculations

Cite this Research Publication : Vasavi CS, Tamizhselvi R, Munusami P. Drug Resistance Mechanism of L10F, L10F/N88S and L90M mutations in CRF01_AE HIV-1 protease: Molecular dynamics simulations and binding free energy calculations, Journal of Molecular Graphics and Modelling, 2017; 75: 390- 492, Elsevier, Impact Factor: 2.94

Publisher : Elsevier

Year : 2015

Synthesis, spectroscopic characterization and in vitro studies of new heteroleptic copper (II) complexes derived from 2-hydroxy napthaldehyde Schiff’s bases and N, N donor ligands: Antimicrobial, DNA binding and cytotoxic investigations

Cite this Research Publication : Kiran T, Prasanth VG, Balamurali MM, Vasavi CS, Munusami P, Sathiyanarayanan KI, et al. Synthesis, spectroscopic characterization and in vitro studies of new heteroleptic copper (II) complexes derived from 2-hydroxy napthaldehyde Schiff’s bases and N, N donor ligands: Antimicrobial, DNA binding and cytotoxic investigations. Inorganica Chimica Acta, 2015;433:26–34, Elsevier, Impact Factor: 3.12

Year : 2014

Molecular docking studies on flavonoid compounds: An insight into aromatase inhibitors

Cite this Research Publication : Indu AG, Munusami P, Vasavi CS, Molecular docking studies on flavonoid compounds: an insight into aromatase inhibitors. International Journal of Pharmacy and Pharmaceutical Sciences. 2014; 6: 141–148, Innovare Academic Sciences, Impact Factor: 0.51

Publisher : Researchgate

Year : 2014

In silico analysis of drug resistance in wild type and mutant HIV-1 subtype D protease

Cite this Research Publication : Vasavi CS and Munusami P. In silico analysis of drug resistance in wild type and mutant HIV-1 subtype D protease. BMC Infectious Diseases, 2014;14:E23 BMC, Impact Factor: 1.58

Year : 2014

In silico analysis of drug resistance in wild type and mutant HIV-1 subtype D protease

Cite this Research Publication : Vasavi CS and Munusami P. In silico analysis of drug resistance in wild type and mutant HIV-1 subtype D protease. BMC Infectious Diseases, 2014;14:E23 BMC, Impact Factor: 1.58

Year : 2014

In Silico Molecular Docking and In Vitro Antidiabetic Studies of Dihydropyrimido[4,5-a]acridin- 2-amines

Cite this Research Publication : Bharathi A, Roopan SM, Vasavi CS, Munusami P, Gayathri GA, Gayathri M, et al. "In Silico Molecular Docking and In Vitro Antidiabetic Studies of Dihydropyrimido[4,5-a]acridin- 2-amines", BioMed Research International, 2014; 2014: e971569, Hindawi, Impact Factor: 3.25

Year : 2010

Homology Modeling and Protein Ligand Interaction to Identify Potential Inhibitor for E1 Protein of Chikungunya

Cite this Research Publication : Vasavi CS, Saptharshi, Radhika Devi R, Anand L, Varma M.P, Krishnan Namboori P.K. "Homology Modeling and Protein Ligand Interaction to Identify Potential Inhibitor for E1 Protein of Chikungunya",In: Das V.V., Vijaykumar R. Information and Communication Technologies. (ICT). Communications in Computer and Information Science., 2010, 101:510-513 Springer

Qualification
  • 2021 Ph.D[Bioinformatics]
    School of Bio-Sciences and Technology
    Vellore Institute of Technology-Vellore, India
  • 2010 M.Tech BioMedical Engineering
    Amrita Vishwa Vidyapeetham-Coimbatore, India
  • 2008 B.Tech Bioinformatics
    Sathyabama Institute of Science and Technology-Chennai, India
Professional Experience
  • (a) Current Positions
    Assistant Professor (Senior), School of AI, Amrita Vishwa Vidyapeetham, Bengaluru
  • (b) Past Positions
    (2021 – 2023) – Project Scientist
    IHub-Data – International Institute of Information Technology-Hyderabad (NM-ICPS scheme),India
  • (2017 – 2020) – Assistant Professor-Junior
    Vellore Institute of Technology-Vellore, India
  • (2011 – 2012) – Assistant Professor
    Noorul Islam University-Kanyakumari, India
  • (2010 – 2011) – Guest lecturer
    Bharathidasan University-Tiruchirapalli, India
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