A Molecular Docking Approach For The Identification Of Catechol Potentiality Inhibition Against Staphylococcus Aureus Enterotoxin

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Ramasamy Rajeswari, Shunmugasundaram Murugesh .S, Dhanasekaran Jegadeeshkumar


Staphylococcus aureus enterotoxin (SE) is one of the potent toxins that is responsible for causing food poisoning, toxic shock syndrome (TSS), and affects the central nervous system. Antibiotics are predominantly used to curb the infections. However, in the recent times, antibiotic resistance has development as one of the major problems in treating infections. In this context, we thought that naturally occurring compounds can be efficacious. Thus, we intended to analyse catechol against SE, with gentamicin as control, using in silico tools. The docking studies revealed a binding energy of -86.84 kcal/mol and -37.14 kcal/mol for catechol and gentamicin, respectively. Besides, the hydrogen bonding was found to be shorter which elucidates the bonding is much stronger than expected. In concurrence with the previous studies using Harpullia arborea (Blanco) Radlk, bark extract, we elucidated the antimicrobial effect against S. aureus. The present study appraises our previous studies of Harpullia arborea (Blanco) Radlk, which is used in traditional medicine for curing digestive issues. Further studies will be conducted to deep dive and understand the interaction of catechol with SEs and to develop catechol as a potent inhibitor against SEs.

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