In-silico studies on the potential of polyphenols to inhibit OspG to prevent invasion of Shigella spp.

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Sharad Verma, Shikha Jha

Department of Biotechnology, Madhav Institute of Technology and Science, Gwalior (M.P.), India 474005

Shigella, an enteric bacterial pathogen, causes the infectious disease Shigellosis which is responsible for severe dysentery in human. Shigella causes suppression of human inflammatory response and invade host with the help of OspG which plays a critical role in suppressing host inflammatory response. This protein binds to the E2-Ubiquitin conjugating enzyme and prevents proteasome degradation of NF-kB by IkBα (inhibitor of NF-kB), thus, suppresses inflammatory responses.A group of polyphenols (Apigenin, Luteolin, Morin, Naringenin, Quercetin, Resveratrol and Taxifolin) were evaluated by molecular docking against this OspG effector kinase.Polyphenols were found to occupy the ATP binding site of the OspG and may interfere with ATP binding which is essentially required for OspG activity. This will prevent the suppression of inflammatory response. Quercetin showed highest (negative) binding energy with OspG and can be used as a potential lead structure against the Shigella.

Keywords: Shigella, OspG, polyphenols, T III Secretion apparatus, molecular docking.

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