A typical drug design approach for AIDS in HIV genomics using various MD methods

  • Bipin Nair B J Department of Computer Sciences, Amrita School of Arts and Sciences, Amrita Vishwa Vidyapeetham, Mysuru, Karnataka, India
  • Akshay Raj V P Department of Computer Sciences, Amrita School of Arts and Sciences, Amrita Vishwa Vidyapeetham, Mysuru, Karnataka, India
  • Chithranand V Nair Department of Computer Sciences, Amrita School of Arts and Sciences, Amrita Vishwa Vidyapeetham, Mysuru, Karnataka, India

Abstract

In our work, we are working with HIV genomes and AIDS proteins. In our method, we are performing sequence alignment using Needle man wunch algorithm of development and application the approach to calculate free energy and entropy by using the non-physical, chemical path through a thermodynamic series while the drug will interact with the protein. Here we are working on the principle-based on protein-protein, protein-peptide, protein-ligand, virtual screening and compulsory free energy estimation for HIV genomics and AIDS proteins. For sequence comparison, we are using the Needleman Wunsch algorithm. Proposed In our proposed work, we have taken the decision parameter is as binding energy to check the efficiency of the drug.

Keywords: AIDS, HIV, MD, PDB

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Published
2019-07-19
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How to Cite
Bipin Nair B J, Akshay Raj V P, & Chithranand V Nair. (2019). A typical drug design approach for AIDS in HIV genomics using various MD methods. International Journal of Research in Pharmaceutical Sciences, 10(3), 2025-2030. https://doi.org/10.26452/ijrps.v10i3.1413
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Original Articles
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