title: Targeting cysteine rich C1 domain of Scaffold protein Kinase Suppressor of Ras (KSR) with anthocyanidins and flavonoids - a binding affinity characterization study.
abstract: Kinase Suppressor of Ras (KSR) is a molecular scaffold that interacts with the core kinase components of the ERK cascade, Raf, MEK, ERK to provide spatial and temporal regulation of Ras-dependent ERK cascade signaling. Interruption of this mechanism can have a high influence in inhibiting the downstream signaling of the mutated tyrosine kinase receptor kinase upon ligand binding. Still none of the studies targeted to prevent the binding of Raf, MEK binding on kinase suppressor of RAS. In that perspective the cysteine rich C1 domain of scaffold proteins kinase suppressor of Ras-1 was targeted rather than its ATP binding site with small ligand molecules like flavones and anthocyanidins and analyzed through insilico docking studies. The binding energy evaluation shows the importance of hydroxyl groups at various positions on the flavone and anthocyanidin nucleus. Over all binding interaction shows these ligands occupied the potential sites of cysteine rich C1 domain of scaffold protein KSR.
authors.affiliation: Department of Pharmacology, Amrita School of Pharmacy, AIMS Health Science Campus, Amrita Vishwa Vidyapeetham University, Kochi, Kerala, India.
authors.forename: Dhananjayan
authors.initials: D
authors.lastname: Karthik
authors.affiliation: Department of Pharmacognosy, Acharya & B.M.Reddy College of Pharmacy, Bangalore, Karnataka, India.
authors.forename: Pulak
authors.initials: P
authors.lastname: Majumder
authors.affiliation: Department of Pharmacy Practice, International Medical University, Kualalampur, Malaysia.
authors.forename: Sivanandy
authors.initials: S
authors.lastname: Palanisamy
authors.affiliation: Department of Pharmacology, Grace College of Pharmacy, Palakkad, Kerala, India.
authors.forename: Kalathil
authors.initials: K
authors.lastname: Khairunnisa
authors.affiliation: Department of Pharmacognosy, Government Medical College, Thiruvananthapuram, Kerala, India.
authors.forename: Varsha
authors.initials: V
authors.lastname: Venugopal
keywords: AutoDock 4.2.6; Kinase suppressor of Ras; MAPK signaling; Neoplasia; anthocyanidins; flavones; in silico docking