A Combination of Pharmacophore-Based Virtual Screening, Structure-Based Lead Optimization, and DFT Study for the Identification of <i>S. epidermidis</i> TcaR Inhibitors

A Combination of Pharmacophore-Based Virtual Screening, Structure-Based Lead Optimization, and DFT Study for the Identification of <i>S. epidermidis</i> TcaR Inhibitors

The transcriptional regulator (TcaR) enzyme plays an important role in biofilm formation. Prevention of TcaR-DNA complex formation leads to inhibit the biofilm formation is likely to reveal therapeutic ways for the treatment of bacterial infections. To identify the novel ligands for TcaR and to prov...

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Bibliographic Details
Main Authors: Srimai Vuppala, Jaeyoung Kim, Bo-Sun Joo, Ji-Myung Choi, Joonkyung Jang
Format: Article
Language:English
Published: MDPI AG 2022-05-01
Series:Pharmaceuticals
Subjects:
TcaR
biofilm
drug design
bacterial infections
molecular docking
Online Access:https://www.mdpi.com/1424-8247/15/5/635

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