Table 3. Top scoring 10 potential inhibitors from Approved drugs library against MetRs-BM.

S. No.	Generic Name	G Score (in kcal/mol)	X-Score (kcal/mol)	H Bond	Hydrophobic Interactions	No. of NB Interactions
C1	Amikacin	-9.08	-7.86	His44, Lys77, Asp152, Gln173	Ala34, Tyr35, Arg151, Tyr156, Trp251, Asp285, Ile286, Phe289,	52
C2	adenosine triphosphate	-8.91	-7.17	Tyr35, Asn37, His44, Lys77, Trp251	Ala34, Asp152, Gln173, Asp285, Ile286, Phe289,	35
C3	Streptomycin	-7.53	-7.23	Tyr35, His44, Asp285,	Ala34, Gly43, Asp152, Gln173, Trp251, Ile286, Phe314	48
C4	Aztreonam	-7.29	-8.39	Asp72, Lys77	Ala32, Ile33, Ala34, Tyr35, His44, Glu47, Trp251, Ala254, Asp285, Ile286, His312	60
C5	Lymecycline	-7.06	-8.15	Ile33, Lys77, Asp152	Ala32, Ile33, Ala34, Tyr35, Asn37, His41, Arg151, Gln173, Thr175, Phe314,	38
C6	Hexoprenaline	-6.83	-8.4	Ile33, Tyr155, Lys225, Tyr249	Ala32, Ala34, Tyr35, Asp152, Ala154, Gln173, Phe219, Trp251, Ile286, Phe289, Phe314,	51
C7	Enviomycin	-6.72	-7.44	Ile33, Tyr35, His41, His44, Asp72, Arg151	Ala34, Asn37, Lys77, Gln173, Trp251, Asp258, Phe314,	43
C8	Fludarabine	-6.64	-7.11	Lys77, Asp152, Gln173, Trp251	Ala32, Ile33, Tyr35, Ile286, Phe289,	32
C9	Adenylate	-6.63	-7.14	Glu47, Gln173, Trp251, Asp285	Ala32, Ala34, Tyr35, Ile286, Phe289	31
C10	Paromomycin	-6.6	-7.21	Tyr35, His44, Lys77, Asp285	His41, Gln173, Ile286, Phe314	29