Repurposing Amphotericin B: anti-microbial, molecular docking and molecular dynamics simulation studies suggest inhibition potential of Amphotericin B against MRSA

Table 1 Detailed picture of interaction of Amphotericin B with PBP2a

Compound	RMSD	Binding energy Kcal/Mol	Inhibition constant (Ki) uM	H-bonding forming residues	Amino acids involved in interactions
Amphotericin B	1.18	−9.01	84.66	ASP81	ASP81,GLU58,ILE102, ILE86

ISSN: 2661-801X