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In-silico Ligand and Structure Based Design of Hiv-1 Protease Inhibitors: Current Trends and Future Directions


Affiliations
1 Department of Pharmacy, MJP Rohilkhand University, Bareilly 243006, Uttar Pradesh, India
2 Department of Applied Chemistry, Faculty of Engineering and Technology, M. J. P. Rohilkhand University, Bareilly - 243006, Uttar Pradesh, India
3 Department of Chemistry, B.S.A. Degree College, Mathura, Uttar Pradesh, India
     

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A study of the function of the protease inhibitor as well as of highly active antiretroviral therapy is involved in the present work. The paper focused on the cause of drug resistance and related phenomena, the HIV protease structure and its catalytic mechanism, the production of HIV inhibitors based on CADD, as well as ligand-based drug design using QSAR and computational binding energy technique, other computational modelling, optimization based on CORAL software. In order to shed light on the potential growth of the new drug for the treatment of HIV, the debate on the prediction of the desired biological activity and the structural relationship studies and study related to the structure-based drug design and the most potent drugs was reviewed.

Keywords

In-silico Ligand, HIV-1 Protease Inhibitors, Highly Active Anti-Retroviral Therapy (HAART), Support Vector Machine (SVM).
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  • In-silico Ligand and Structure Based Design of Hiv-1 Protease Inhibitors: Current Trends and Future Directions

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Authors

S. Ramasamy
Department of Pharmacy, MJP Rohilkhand University, Bareilly 243006, Uttar Pradesh, India
Sushmita Gupta
Department of Applied Chemistry, Faculty of Engineering and Technology, M. J. P. Rohilkhand University, Bareilly - 243006, Uttar Pradesh, India
Ritu Rani Chaudhary
Department of Chemistry, B.S.A. Degree College, Mathura, Uttar Pradesh, India
Amit Kumar Verma
Department of Pharmacy, MJP Rohilkhand University, Bareilly 243006, Uttar Pradesh, India

Abstract


A study of the function of the protease inhibitor as well as of highly active antiretroviral therapy is involved in the present work. The paper focused on the cause of drug resistance and related phenomena, the HIV protease structure and its catalytic mechanism, the production of HIV inhibitors based on CADD, as well as ligand-based drug design using QSAR and computational binding energy technique, other computational modelling, optimization based on CORAL software. In order to shed light on the potential growth of the new drug for the treatment of HIV, the debate on the prediction of the desired biological activity and the structural relationship studies and study related to the structure-based drug design and the most potent drugs was reviewed.

Keywords


In-silico Ligand, HIV-1 Protease Inhibitors, Highly Active Anti-Retroviral Therapy (HAART), Support Vector Machine (SVM).

References