“…40 Thus, the negative binding energy values demonstrate that all five compounds could interact with AMCase, with compounds 1, 8, and 17 binding to AMCase more readily than the standard drug of salbutamol (Table 3). 40 The binding modes reveal that matrine occupies a spacious cavity and interacts with active amino acid residues, including TRP-99, TYR-212, ASP-213, TYR-267, ILE-300, and TRP-360, through hydrophobic interactions, hydrogen bonds, and salt bridges (Figure 4). Similarly, scopolamine and RosA bind to AMCase through noncovalent interactions with residues TRP-31, PHE-58, TRP-99, ASN-100, ASP-213, and TRP-360.…”