Phytoconstituents of Citrus limon (Lemon) as Potential Inhibitors Against Multi Targets of SARS‐CoV‐2 by Use of Molecular Modelling and In Vitro Determination Approaches

Abstract In the present work, phytoconstituents from Citrus limon are computationally tested against SARS‐CoV‐2 target protein such as Mpro ‐ (5R82.pdb), Spike ‐ (6YZ5.pdb) &RdRp ‐ (7BTF.pdb) for COVID‐19. Docking was done by glide model, QikProp was performed by in silico ADMET screening & Prime MM...

Full beskrivning

Bibliografiska uppgifter

Huvudupphov:	Kannan Raman, Rajagopal Kalirajan, Fahadul Islam, Srikanth Jupudi, Divakar Selvaraj, Gomathi Swaminathan, Laliteshwar Pratap Singh, Ritesh Rana, Shopnil Akash, Md. Rezaul Islam, Firzan Nainu, Talha Bin Emran, Turki M. Dawoud, Mohammed Bourhia, Musaab Dauelbait, Rashu Barua
Materialtyp:	Artigo
Språk:	Inglês
Utgiven:	Wiley-VCH 2024-10-01
Serie:	ChemistryOpen
Ämnen:	Main protease Spike protein RdRp MMGBSA MD simulation in anti-SARS-CoV-2 determination
Länkar:	https://doi.org/10.1002/open.202300198
Taggar:	Lägg till en tagg Inga taggar, Lägg till första taggen!