Molecular exposition of broad‑spectrum antibacterial efficacy by p‑coumaric acid from an edible mushroom Termitomyces heimii:in vitro and in silico approach  

作　　者：Krishanu Singha Amrita Banerjee Arijit Jana Poushali Bandyopadhyay Smarajit Maiti Bikas Ranjan Pati Pradeep Kumar Das Mohapatra 

机构地区：[1]Department of Microbiology,Vidyasagar University,Midnapore,West Bengal 721102,India [2]Department of Biotechnology,Oriental Institute of Science and Technology,Midnapore,West Bengal 721102,India [3]Department of Chemical Engineering,IIT Roorkee,Uttarakhand 247667,India [4]Department of Microbiology,Raiganj University,Raiganj,West Bengal 733134,India

出　　处：《Systems Microbiology and Biomanufacturing》2023年第4期750-764,共15页系统微生物学与生物制造（英文）

摘　　要：P-Coumaric acid was previously reported to contain antioxidant,antidiabetic,anti-inflammatory,antiplatelet,antiulcer and anticancer activities.Along with these,the present work has been conducted to study the antibacterial activity of p-coumaric acid.It could be used to control broad-spectrum microbiome-based inflammation or in cancer control.HPLC analysis of methanolic extract from the mushroom Termitomyces heimii has exhibited a rich fraction of p-coumaric acid(p-CA),which in the pure form showed significant bactericidal potentials.To predict the molecular interactions associated with the bactericidal mechanism of p-CA,the transmembrane protein sequences of Staphylococcus aureus and Escherichia coli were retrieved from the IMG–JGI database,screened and then aligned using Clustal X2 and PHYLIP 3.69 softwares.The common sequences were subjected to tertiary structure prediction using Phyre2 server,followed by quality assessment through the Ramachandran plot.Next,the 3D molecular structure of p-CA was downloaded from PubChem and docked with the selected tertiary structures using Patchdock and showed higher affinity towards 12 common transmembrane protein structures,amongst which CDP-diacylglycerol–glycerol-3-phosphate 3-phosphatidyl transferase(PgsA)exhibited best dock-ing with p-CA on the basis of ACE value(–249 kcal/mol).This fact revealed that p-CA can block the normal functioning of membrane-bound enzyme PgsA,consequently leading to the interruption in the synthesis and recycling of an essential membrane component phosphatidylglycerol(PG),resulting in membrane disruption followed by cell lysis.Here,for the first time we reported the molecular insights and fundamental biochemical events underlying the bactericidal action by p-CA,to explore new perspective to combat multidrug-resistant bacteria.

关 键 词：p-Coumaric acid BACTERICIDAL DOCKING ACE value PgsA LYSIS 

分 类 号：Q93[生物学—微生物学]