Structure-based Multi-targeted Molecular Docking and Molecular Dynamic Simulation Analysis to Identify Potential Inhibitors against Ovarian Cancer
Bandar Hamad Aloufi
Abstract
Ovarian Cancer (OC) is among the most prevalent cancers in females. OC is one of the deadliest and worst prognosis diseases. Currently, there are no approved OC screening tests or early detection methods. Hence, new screening, prevention, and early detection strategies are still highly demanded. Plant compounds have recently become increasingly important in developing new, effective, and affordable anti-cancer drugs. To investigate the protein-ligand interaction, molecular docking was used with
Topics & Concepts
Ovarian cancerMolecular dynamicsDocking (animal)Computational biologyMedicineComputer scienceChemistryCancerBiologyInternal medicineComputational chemistryNursingComputational Drug Discovery MethodsSynthesis and biological activityCancer therapeutics and mechanisms