Exploring insights for virulent gene inhibition of multidrug resistant Salmonella typhi, Vibrio cholerae, and Staphylococcus areus by potential phytoligands via in silico screening
作者： Sinosh Skariyachan , Nisha Jayaprakash , Navya Bharadwaj , Rajeswari Narayanappa
DOI: 10.1080/07391102.2013.819787
关键词:
摘要: In our recent studies on prevalence of multidrug resistant pathogens in Byramangala reservoir, Karnataka, India, we identified Salmonella typhi, Staphylococcus aureus, and Vibrio cholerae which had acquired multiple drug resistance (MDR) emerged as superbugs. Hence, there is a pressing demand to identify alternative therapeutic remedies. Our study focused the screening herbal leads by structure-based virtual screening. The virulent gene products these towards Kanamycin(aph), Trimethoprim(dfrA1), Methicillin (mecI), Vancomycin (vanH) were probable targets their 3D structures predicted homology modeling. models showed good stereochemical validity. By extensive literature survey, selected 58 phytoligands likeliness pharmacokinetic properties computationally predicted. inhibitory ligands against studied molecular docking. revealed that Baicalein from S. baicalensis (baikal skullcap) Luteolin Taraxacum officinale (dandelion) potential inhibitors aph typhi. Resveratrol Vitis vinifera (grape vine) Wogonin dfrA1 Herniarin Herniaria glabra (rupture worts) Pyrocide Daucus carota (Carrot) best V. cholerae. Taraxacin T. (weber) Mec1. Apigenin Coffee arabica (coffee) vanH aureus. findings pave crucial insights for exploring therapeutics MDR pathogens.
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