Open AccessA Computational Approach on the Activity of Hesperidin as Antagonist for Proteins of SARS-CoV-2
Author(s) -
Satyanarayana Swamy Vyshnava,
Kanderi Dileep Kumar,
Shiva Prasad Panjala,
Kameshpandian Paramasivam,
Gayathri Pandluru,
Swathi Banapuram,
Roja Rani Anupalli,
Muralidhara Rao Dowlatabad
Publication year - 2021
Publication title -
letters in applied nanobioscience
Language(s) - English
Resource type - Journals
ISSN - 2284-6808
DOI - 10.33263/lianbs103.25712577
Subject(s) - dock , virtual screening , docking (animal) , hesperidin , chemistry , antagonist , target protein , drug , receptor , covid-19 , drug discovery , pharmacology , computational biology , biochemistry , biology , infectious disease (medical specialty) , medicine , disease , alternative medicine , nursing , pathology , gene
Spike proteins are a functional component in the viral infections of the SARS-CoV-2 virus that binds to the ACE2 receptors of the human cells. The naturally derived drugs like hesperidin show a higher affinity to avoiding the binding of the spike protein. Inhibition of the spike protein study represents the development of a new drug for SARS disease. Along with the hesperidin and its analogs have been found effective medicine to control SARS-CoV-2; the entire drug bank database was screened for strong analogous remedy like compounds as hesperidin. Virtual Screening and docking studies were intended for these molecules against spike protein with auto dock virtual screening tool and auto dock vena. The docking outcome showed that the compounds hesperitin, silibilin, and dihydromyricetin were having the highest binding energies, like -8 and -6.2. The current study indicates that the lead molecules have to be evaluated to improve prospective drug molecules.