Table 2.

Docking scores and identified bond types predicted through MOE tool for shortlisted compounds within the binding cavity of RiS.

S. No.	Ligand	Receptor	Interaction	Distance	E (kcal/mol)	S Value (kcal/mol)
1	Ribityl control					−6.40
	N 2	O SER 158	H-donor	2.87	−5.9
	N 4	OG1 THR 163	H-donor	3.06	−2.0
	O 21	O VAL 6	H-donor	2.91	−1.4
	O 9	CA LEU 159	H-acceptor	3.43	−0.5
	O 9	N ILE 160	H-acceptor	3.22	−2.8
	O 10	N THR 146	H-acceptor	2.95	−2.5
	5-ring	CA LEU 145	pi-H	4.49	−1.0
2	CMNPD3609					−7.63
	O 27	O LYS 30	H-donor	3.18	−0.8
	O 56	O VAL 6	H-donor	2.94	−1.8
3	Malyngamide V					−7.03
	N 13	O VAL 6	H-donor	3.08	−2.8
	O 7	N VAL 6	H-acceptor	3.07	−1.2
4	ZINC06804365					−7.01
	5-ring	CA LEU 5	pi-H	4.44	−1.6
	5-ring	CG2 THR 163	pi-H	4.28	−0.5