Advancing Computer-Aided Drug Discovery (ACADD): In-Silico Approach towards Nuclear Receptors by Big Data
K. Palaniammal, M. Saravana Roentgen Mani, R. Mohan Kumar
Journal of Pharmaceutical Research International · pp. 40–46 · Published 29 May 2021
10.9734/jpri/2021/v33i30A31612Abstract
The progression of drug discovery and development is time consuming and costly. Advancing Computer-aided drug discovery (ACADD) is an effective tool in reducing the time and cost of research and development. This study deals with the evaluation of the nuclear receptors for the in-silico biological activity using ligand betulinic acid and dexamethasone. Docking results showed that binding energy was -74.190 kcal/mol when compared with that of the standard (-51.551 kcal/mol). Interaction energy -44.16 & -25.14 kcal/mol) of the ligands also coincide with the binding energy. These ligands have shown the best ligand-receptor interaction based on their structural parameters.
Cited by 2
K. Namitha, V. Velmurugan · World Journal of Advanced Research and Reviews · 2022
K. Sundravadivelu, K. Palaniammal, M. Saravana Roentgen Mani · Lecture Notes in Networks and Systems · 2025
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