Skip to main content

Table 2 Docking score of the selected dietary bioactive and synthetic compounds

From: Virtual screenings of the bioactive constituents of tea, prickly chaff, catechu, lemon, black pepper, and synthetic compounds with the main protease (Mpro) and human angiotensin-converting enzyme 2 (ACE 2) of SARS-CoV-2

Compounds Docking score
5REB 6VW1 1R42 7BQY 6Y2F
Caffeine −5.1 −4.8 −5.7 - −5.0
Theaflavin 6.3 9.8 8.6 −6.7 −6.4
Achyranthine −4.4 −4.1 −4.0 −4.2 −4.7
Betaine −3.5 −3.2 −3.2 −3.4 −3.5
Catechin - −6.7 −6.9 −7.0 −6.5
Kaempferol −6.2 −7.0 −6.8 7.1 6.6
Limonene −4.6 −4.8 −4.7 −4.4 −5.2
Sabinene −4.5 −4.5 −4.8 −4.1 −4.7
Piperine - −6.8 −7.0 −6.5 −7.1
Pinene - −4.5 −4.5 −4.4 −4.6
Favipiravir −5.4 −4.7 −5.2 −5.5 −5.3
Hydroxychloroquine −5.4 −5.6 −5.8 −5.7 −6.0