Abstract
Exploring Flexibility, Intermolecular Interactions and Admet Profiles of Anti-Influenza Agent Isorhapontigenin: A Quantum Chemical and Molecular Docking Study
Highlights
Since overall scourge strains and yearly pandemic, Influenza can cause an intense respiratory ailment [1] caused by RNA virus which belongs to the Orthomyxoviridae family [2]
In IRPG molecule the strong bands from HOMO to LUMO level appears in first major contributions of π→π* transitions with 100%
Mulliken charges and the Molecular electrostatic potential (MEP) charges are parallel to IRPG and the map exemplifies that the negative regions are on oxygen atoms while the positive regions are on carbon and hydrogen atoms
Summary
Since overall scourge strains and yearly pandemic, Influenza can cause an intense respiratory ailment [1] caused by RNA virus which belongs to the Orthomyxoviridae family [2]. HA was a cellanchoring viral glycoprotein which is responsible for viral infection via linking monosaccharide sialic acid having receptors on the host cells and mediating the entry and fusion of virus [13]. NA (sialidase) is a hydrolytic viral glycoprotein which is feasible for cleaving of sialic acid from surface of the cell and to release the progeny virus particles from host cells [14]. The viral NA enzyme has been a functioning exploration territory against anti-influenza treatment due to release of virus particles from host cells. Influenza settles on its own, but in some cases its complications can be treacherous. In this sense there is a need of proceeding requirement for advancement of new anti-influenza drugs
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