In this study, molecular docking simulations were performed
to investigate the binding interactions between chloroquine and its putative
molecular targets. Analysis of the docking results provided insights into the
key amino acid residues involved in ligand binding and the potential binding
pockets within the target proteins. Human HGPRTase is the protein used for
docking studies of chloroquine. Chloroquine is used as a standard. The
compounds C2 and C6 displayed the best Mol Doc score –124.844 kcal/mol -137.776kcal/mol.
The standard drug Chloroquine exhibited a Mol Doc score of -77.1536 kcal/mol.
Author(s) Details
Tirumalasetty
Varshitha
Bhavan’s Vivekananda College of Science, Humanities and Commerce,
Sainikpuri, Sec-bad, India.
Yellapragada N V S
Sri Harsha
Bhavan’s Vivekananda College of Science, Humanities and Commerce,
Sainikpuri, Sec-bad, India.
Dugyala Bhuvaneshwari
Bhavan’s Vivekananda College of Science, Humanities and Commerce,
Sainikpuri, Sec-bad, India.
Vudumudi Nitya Subha
Pallavi
Bhavan’s Vivekananda College of Science, Humanities and Commerce,
Sainikpuri, Sec-bad, India.
Arunapriya Lakkadi
Bhavan’s Vivekananda College of Science, Humanities and Commerce,
Sainikpuri, Sec-bad, India.
Please see the book here :- https://doi.org/10.9734/bpi/mbrao/v5/6378
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