Docking studies of different derivatives of Penicillin in the treatment of the disease Syphilis

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Sudipta Modak, Harshita Chandra, Mahanam Brata Paul, Abhipsa Sinha, Sampriti Chakraborty, Sneha Das, Mayukh Maji

Abstract

Syphilis is a chronic, persistent, and multi-stage infection primarily transmitted via sexual contact with active lesions or from an infected mother to her foetus. With no vaccine available to prevent syphilis, effective control depends heavily on the prompt identification and treatment of infected individuals and their contacts. Penicillin G remains the first-line treatment across all stages of syphilis, proving highly effective against the causative agent, Treponema pallidum. Apart from arsenical, bismuth, and mercurial compounds, penicillin and a few other antibiotics including fumigacin, gliotoxin, aspergillic acid, and bromo aspergillic acid are the only chemotherapeutic medicines that work against Treponema pallidum. There are different types of classes of penicillin which show the activity to inhibit PBPs (Penicillin-Binding Proteins) and causes cell lysis and cell death. They target the microorganisms such as gram positive and gram-negative aerobes and certain anaerobes. Later, we study in brief about the significance of 1RT2 protein in molecular docking techniques. Penicillin G remains the first-line treatment across all stages of syphilis, proving highly effective against the causative agent, Treponema pallidum. If we consider all the penicillin derivatives and done their docking studies against the protein 1RT2, we observe different types of docking output.

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