Can I read Anticancer potential of phytochemicals from Oroxylum indicum targeting Lactate Dehydrogenase A through bioinformatic approach on EtoBox?

Anticancer potential of phytochemicals from Oroxylum indicum targeting Lactate Dehydrogenase A through bioinformatic approach by Sheikh Sunzid Ahmed; M. Oliur Rahman; Ali S. Alqahtani; Nahid Sultana; Omer M. Almarfadi; M. Ajmal Ali; Joongku Lee is a Environmental Science article available to read on EtoBox.

What is Anticancer potential of phytochemicals from Oroxylum indicum targeting Lactate Dehydrogenase A through bioinformatic approach about?

In recent years, small molecule inhibition of LDHA (Lactate Dehydrogenase A) has evolved as an appealing option for anticancer therapy. LDHA catalyzes the interconversion of pyruvate and lactate in the glycolysis pathway to play a crucial role in aerobic glycolysis. Therefore, in the current investigation LDHA was targeted with bioactive phytochemicals of an ethnomedicinally important plant species Oroxylum indicum (L.) Kurz. A total of 52 phytochemicals were screened against LDHA protein through molecular docking, ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) assay and molecular dynamics simulation to reveal three potential lead compounds such as Chrysin-7-O-glucuronide (−8.2 kcal/mol), Oroxindin (−8.1 kcal/mol) and Oroxin A (−8.0 kcal/mol). ADMET assay unveiled favorable pharmacokinetic, pharmacodynamic and toxicity properties for all the lead compounds. Molecular dynamics simulation exhibited significant conformational stability and compactness. MM/GBSA free binding energy calculations further corroborated the selection of top candidates where Oroxindin (−46.47 kcal/mol) was found to be better than Chrysin-7-O-glucuronide (−45.72 kcal/mol) and Oroxin A (−3

Who reads Anticancer potential of phytochemicals from Oroxylum indicum targeting Lactate Dehydrogenase A through bioinformatic approach?

Author

Sheikh Sunzid Ahmed; M. Oliur Rahman; Ali S. Alqahtani; Nahid Sultana; Omer M. Almarfadi; M. Ajmal Ali; Joongku Lee

Publisher

Elsevier BV

Published

2023

Language

EN

Field

Environmental Science (Physical Sciences)