Computational Exploration of Anti-cancer Potential of Flavonoids against Cyclin-Dependent Kinase 8: An <i>In Silico</i> Molecular Docking and Dynamic Approach
Sanket Rathod, Ketaki S. Shinde, Jaykedar Porlekar, Prafulla B. Choudhari, Rakesh P. Dhavale, Deepak Mahuli, Yasinalli Tamboli, Manish S. Bhatia, Kishan P. Haval, Abdullah G. Al‐Sehemi, Mehboobali Pannipara
Abstract
molecular docking suggested tight binding of ZINC000005854718 with targeted protein. The results concluded that ZINC000005854718 has drug-like properties with tight and stable binding with the targeted protein.
Topics & Concepts
Molecular dynamicsDocking (animal)In silicoChemistryKinaseComputational biologyCancer researchBiochemistryStereochemistryBiophysicsBiologyComputational chemistryMedicineGeneNursingComputational Drug Discovery MethodsAdvanced Breast Cancer TherapiesCancer Mechanisms and Therapy