In Silico and In Vitro Evaluation of the Antimicrobial Potential of Isolated from Gut against .

Antimicrobial resistance is a major public health and development concern on a global scale. The increasing resistance of the pathogenic bacteria to antibiotics necessitates efforts to identify potential alternative antibiotics from nature, including insects, which are already recognized as a source of natural antibiotics by the scientific community. This study aimed to determine the potential of components of gut-associated bacteria isolated from , an Asian giant honeybee, as an antibacterial against by in vitro and in silico methods as an initial process in the stage of new drug discovery. The identified gut-associated bacteria of included and with 100% identity to referenced bacteria from GenBank. Cell-free culture supernatants (CFCS) of had a very strong antibacterial activity against in an in vitro antibacterial testing. Meanwhile, molecular docking revealed that antimicrobial lipopeptides from (surfactin, fengycin, and iturin A) had a comparable value of binding-free energy (BFE) with the target protein receptor for , namely penicillin-binding protein (PBP) 1 and PBP2 when compared with the ceftriaxone, cefixime, and doxycycline. The molecular dynamics simulation (MDS) study revealed that the surfactin remains stable at the active site of PBP2 despite the alteration of the H-bond and hydrophobic interactions. According to this finding, surfactin has the greatest antibacterial potential against PBP2 of .