In Silico Evaluation of Potential Ligands of Cancer Cells for Surfactin from Bacillus spp.  

作　　者：Mahmuda Akhter Akhi Umme Tamanna Ferdous Md.Fakruddin Suvamoy Datta Md.Asaduzzaman Shishir 

机构地区：[1]Department of Microbiology,Primeasia University,Banani,Dhaka-1213,Bangladesh [2]Aquatic Animal Health and Therapeutics Laboratory(Aqua Health),Institute of Bioscience,Universiti Putra Malaysia,Serdang 43400,Selangor,Malaysia [3]Department of Biochemistry and Microbiology,North South University,Bashundhara,Dhaka-1229,Bangladesh

出　　处：《Proceedings of Anticancer Research》2023年第3期18-28,共11页抗癌研究

摘　　要：Cancer is one of the most prevalent diseases worldwide,which causes significant morbidity and mortality.Designing and developing a potential anti-cancer drug is an active field of research worldwide.Microorganisms have been considered a potential source of anti-cancer drugs.One such microbe-derived compound is surfactin,which shows potential anti-cancer activities.In this study,we evaluated the binding potential of surfactin with several cancer cell ligands via an in-silico approach.Hence,molecular docking studies were performed to test the binding potential of surfactin against four targets.The analyses revealed that surfactin from Bacillus sp.can bind with the targeted ligands(coenzyme A,D-leucine,glycerol,and(R)-3-hydroxytetradecanal)with significant affinity.Surfactin showed the highest binding affinity(-7.7 kcal mol-1)to coenzyme A among the targeted ligands.These results may be useful for developing anti-cancer drugs.Nevertheless,further experimental studies are needed to investigate the ligand binding capacity and anti-cancer potential of such surfactin-like molecules.

关 键 词：Molecular docking CANCER LIGAND SURFACTIN BACILLUS 

分 类 号：R73[医药卫生—肿瘤]