In Silico and In Vitro Screening of Natural Compounds as Broad-Spectrum β-Lactamase Inhibitors against Acinetobacter baumannii New Delhi Metallo-β-lactamase-1 (NDM-1)

Table 2

SIFt analysis of NDM-1 binding site amino acid interaction with withaferin A.

Amino acid	Side chain	Hydrophobic	Aromatic	Polar	Acceptor	Charged	Backbone
ILE35	1	1	0	0	0	0	0
TRP93	1	1	1	0	0	0	0
HIS122	1	0	0	1	0	0	0
ASP124	1	0	0	1	1	1	0
HIS189	1	0	0	1	0	0	0
SER217	1	0	0	1	0	0	0
GLY219	0	0	0	0	0	0	1
ASN220	1	0	0	1	0	0	1
HIS250	1	0	0	1	0	0	0