Niode Nurdjannah Jane, Adji Aryani, Rimbing Jimmy, Tulung Max, Alorabi Mohammed, El-Shehawi Ahmed M, Idroes Rinaldi, Celik Ismail, Adam Ahmad Akroman, Dhama Kuldeep, Mostafa-Hedeab Gomaa, Mohamed Amany Abdel-Rahman, Tallei Trina Ekawati, Emran Talha Bin
Entomology Study Program, Graduate School, University of Sam Ratulangi. Jl. Kampus Unsrat, Manado 95115, North Sulawesi, Indonesia.
Department of Dermatology and Venereology, Faculty of Medicine, University of Sam Ratulangi, RD Kandou Hospital, Jl. Raya Tanawangko No. 56, Manado 95163, North Sulawesi, Indonesia.
Antibiotics (Basel). 2021 Nov 15;10(11):1401. doi: 10.3390/antibiotics10111401.
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 .
抗菌耐药性是全球范围内主要的公共卫生和发展问题。致病细菌对抗生素的耐药性不断增加，因此有必要努力从自然界中寻找潜在的替代抗生素，包括昆虫，科学界已将昆虫视为天然抗生素的来源。本研究旨在通过体外和计算机模拟方法，确定从亚洲巨型蜜蜂分离的肠道相关细菌的成分作为抗金黄色葡萄球菌的抗菌剂的潜力，这是新药发现阶段的初始过程。鉴定出的亚洲巨型蜜蜂肠道相关细菌包括与GenBank中参考细菌100%同源的芽孢杆菌属和类芽孢杆菌属。在体外抗菌测试中，芽孢杆菌属的无细胞培养上清液（CFCS）对金黄色葡萄球菌具有很强的抗菌活性。同时，分子对接显示，与头孢曲松、头孢克肟和强力霉素相比，芽孢杆菌属的抗菌脂肽（表面活性素、丰原素和伊枯草菌素A）与金黄色葡萄球菌的靶蛋白受体即青霉素结合蛋白（PBP）1和PBP2具有相当的结合自由能（BFE）值。分子动力学模拟（MDS）研究表明，尽管氢键和疏水相互作用发生了改变，但表面活性素在PBP2的活性位点仍保持稳定。根据这一发现，表面活性素对金黄色葡萄球菌的PBP2具有最大的抗菌潜力。
