Integration of transcriptomics and proteomics to elucidate inhibitory effect and mechanism of rosmarinic acid from Perilla frutescens (L.) Britt. in treating Trichophyton mentagrophytes

Table 1 Molecular docking results of enolase and the compounds

Compounds	Binding Energy (kcal/mol)	Hydrogen Bonds	Other Amino Acid Residues	Metal ion
AP-III-a4	23.01	GLY42, HIS159, GLN167, GLU297, ASP322, ASP323,SER377	GLU168, ALA248, LYS398, Mg²⁺	–
Hex	− 5.88	GLN167, GLU211, ASP322, LYS347, HIS375, ARG376,SER377,LYS398	HIS159-	Mg²⁺
D-(-)-3-Phosphoglyceric acid disodium	− 3.2	ARG15, SER37, SER40, GLN167, LYS347, ARG376,SER377	–	–
POMHEX	− 5.88	GLN167, ASP298, LYS347, ARG376, SER377	HIS159, HIS375, ASP322, LYS398	Mg²⁺
Rosmarinic acid	− 6.75	HIS159, ALA248, SER250, GLU297, ASP298, ASP322, LYS347, SER374, ARG376, SER377	GLU168, ASP246, ASP323	Mg²⁺

ISSN: 1749-8546