Molecular docking and <i>in silico</i> analysis of the pharmacokinetics, toxicological profile and differential gene expression of bioactive compounds from <i>Cyrtopodium glutiniferum</i>.

ABSTRACT: The genus Cyrtopodium, from the Orchidaceae family, is widely used for its therapeutic properties in the treatment of tuberculosis, abscesses, urinary infection, and colds. C. glutiniferum, one of the species of this genus, is endemic in Brazil and largely used in herbal medicine. Thus, it is of great interest to recognize its composition, the properties of the molecules found in it. This study aimed to perform the in silico analysis of the main compounds from C. glutiniferum, on the platforms pKCSM, SwissADME, LAZAR, CLC-pred, ToxTree, DIGEPred, STRING, and Cytoscape. Further than this, the molecular docking was performed. The compounds present in the aqueous extract of C. glutiniferum were identified by UHPLC-MS/MS, finding Arbutin, Caffeic acid

SUBMITTER: Araujo NGR 

PROVIDER: S-EPMC11612344 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature