Molecular docking study of new sorafenib analogues as platelet-derived growth factor receptor inhibitors for the treatment of cancer

• Published in: Journal of pharmacy & bioallied science Vol. 15; no. 6; pp. 1023 - 1026
• Main Authors: Jihad, Marwan, Mahdi, Monther
• Format: Journal Article
• Language: English
• Published: Mumbai Wolters Kluwer India Pvt. Ltd 01-07-2023; Medknow Publications and Media Pvt. Ltd; Medknow Publications & Media Pvt. Ltd; Wolters Kluwer - Medknow; Wolters Kluwer Medknow Publications
• Subjects: Antineoplastic drugs; Antitumor agents; cambridge crystallographic data center; Cancer; Cancer therapies; Cell differentiation; Chemotherapy; Crystallography; Drug therapy; Enzyme inhibitors; Growth factors; Inhibitor drugs; Kinases; Ligands; molecular docking; Original; Platelet-derived growth factor; Platelet-derived growth factor receptors; Protein kinases; Protein-tyrosine kinase; Proteins; sorafenib; Tyrosine; X-ray crystallography; platelet-derived growth factor; molecular docking; sorafenib; Cambridge crystallographic data center
• ISSN: 0975-7406; 0976-4879; 0975-7406
• DOI: 10.4103/jpbs.jpbs_244_23

Cancer is a disease triggered by an uncontrolled growth of a group of cells usually from a single cell. Chemotherapy is a common and systematic therapy that involves the use of anticancer drugs also known as chemotherapeutical agents to treat cancer. Tyrosine kinases are a subset of protein kinases that are a family of over 90 enzymes that selectively phosphorylate tyrosine residues in various substrates. Receptors with internal tyrosine kinase activity mediate the actions of several growth factors, differentiation factors, and hormones, resulting in the reproduction and differentiation of the affected cells. In the fight against cancer, the platelet-derived growth factor receptor has emerged as a novel target via inhibition of this receptor resulting in the inhibition of tyrosine kinase cascade. Docking investigations were conducted using the Genetic Optimization for Ligand Docking (GOLD) Suite (v. 5.7.1) from the Cambridge Crystallographic Data Center. A high-definition X-ray crystallography of the platelet-derived growth factor protein [Protein Data Bank (PDB) ID 6JOL] was downloaded from the website PDB with a resolution of 2 A. Compounds II, III, VII, and VIII have greater binding energies than the GOLD standard medication sorafenib, which gives Piecewise Linear Potential (PLP) fitness value (85.3). Other ligands exhibit good inhibitory action and docking scores comparable to that of the reference ligand sorafenib.