id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-344064-l3u4l3se	Ghosh, Rajesh	Computer aided identification of potential SARS CoV-2 main protease inhibitors from diterpenoids and biflavonoids of Torreya nucifera leaves	2020-11-03		.txt	text/plain	8644	453	51	Diterpenoids and biflavonoids those qualified pharmacological test (hinokiol, amentoflavone, bilobetin and ginkgetin) and two well-known Mpro inhibitors (N3 and lopinavir) were subjected for molecular docking studies. The leaves of the traditional medicinal plant Torreya nucifera contains eight well-known diterpenoids (18-hydroxyferruginol, hinokiol, ferruginol, 18-oxoferruginol, O-acetyl-18hydroxyferruginol, methyl dehydroabietate, isopimaric acid, kayadiol) and four biflavonoids (amentoflavone, bilobetin, ginkgetin, sciadopitysin) ( Figure 1 ) (Ryu et al., 2010) . Overall, molecular docking studies clearly revealed that selected three biflavonoids (amentoflavone, bilobetin and ginkgetin) interacted with two key residues (His41 and Cys145) of Mpro via alkyl bond(s) interactions ( Figure 2 ). Overall, this study showed that three important biflavonoids of Torreya nucifera leaves (amentoflavone, bilobetin and ginkgetin) can act as SARS CoV-2 Mpro inhibitors. Evaluation of green tea polyphenols as novel corona virus (SARS CoV-2) main protease (Mpro) inhibitors -an in silico docking and molecular dynamics simulation study	./cache/cord-344064-l3u4l3se.txt	./txt/cord-344064-l3u4l3se.txt