. 2020 Oct 17;8(10):1600. doi: 10.3390/microorganisms8101600

Table 2.

Contact residues of the SARS-CoV-2 RBD-ACE2 interfacing with ribavirin and caffeine. Residues involved in the hydrogen and hydrophobic interactions between S protein and ACE2+ribavirin+caffeine.

	Ribavirin		Caffeine
	S protein	ACE2	S protein	ACE2
Hydrogen bonding	Gly504(O, O-H)-Tyr505(N)	Lys353(O)-Asp350(NH₂)-Gly354(N)	-	-
Hydrophoic interactions	Asp405-Gly502-Val503	Ala386-Ala387-Arg393-Asp355-Glu37-Gly352-Leu351-Met383-Phe356-Thr324		Arg393-Asn394- Asp350-Glu37-Gly352-Leu351-Leu391-Leu392-Phe40-Phe390