[Computer simulation of molecular docking between methylene blue and some proteins of Porphyromonas gingivalis].

ABSTRACT:

Objective

To study the binding target of photosensitizer and bacteria in antimicrobial photodynamic therapy with computer-simulated target prediction and molecular docking research methods and to calculate the binding energy.

Methods

The protein names of Porphyromonas gingivalis (Pg) were obtained and summarized in Uniprot database and RCSB PDB database; the structure diagrams of methy-lene blue were screened in SciFinder database, PubChem database, ChemSpider database, and Chemical Book, and ChemBioDraw software was used to draw and confirm the three-dimensional structure for target prediction and Cytoscape software was used to build a visual network diagram; a protein interaction network was searched and built between the methylene blue target and the common

SUBMITTER: Yuan LT 

PROVIDER: S-EPMC8860636 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature