Gymnema sylvestre as a potential therapeutic agent for PCOS: insights from mRNA differential gene expression and molecular docking analysis

Future Journal of Pharmaceutical Sciences

Table 4 List of ligands that give best binding score with the target proteins in terms of stronger binding affinity calculated via blind docking

Serial number	Ligand	PubChem CID	Binding affinity of target proteins
Serial number	Ligand	PubChem CID	6ZSA	5Z62	5XTD	3J7Y
1	Lupeol	259,846	− 10.3	− 11.1	− 14.6	− 10.9
2	Beta-Amyrin	73,145	− 7.4	− 6.9	− 8.8	− 6.7
3	Beta-Elemene	6,918,391	− 6.6	− 7.4	− 9.2	− 6.5
4	Stigmasterol	5,280,794	− 7.0	− 6.5	− 7.8	− 6.2
5	Gymnestrogenin	15,560,302	− 6.4	− 6.6	− 8.1	− 6.1
6	Dammarane	9,548,714	− 6.6	− 6.2	− 8.8	− 5.7

6ZSA-Mitochondrial 39S ribosomal protein L21(MRPL21); 5Z62-Cytochrome C Oxidase Subunit6C(COX6C); 5XTD-NADH:ubiquinone oxidoreductase subunit A12(c); 3J7Y-mitochondrial peptidyl-tRNA hydrolase (ICT1)