Simulation binding between nucleoli and cationic peptides, inducing tumor cell apoptosis, by molecular docking

Abstract

Backgound: cationic peptides and their possible targets─chaperone proteins nucleolin, NCL and nucleophosmin, NPM, regulating key cellular processes, are promising as antitumor agents. Differential expression of NCL and NPM, especially cell surface nucleolin, in tumor and normal cells creates the basis for selective cytotoxicity of the peptides and their clinical application. Aim: objective is to propose strategy for analysis binding between nucleolin and peptides by molecular docking. Results: nucleolin structure is rather stable and cross-linking between NCL and peptides affects amino-acids with constant positions in NCL moleculae. Cationic peptides are suitable as ligands for nucleolin dimer.

Novel approaches for overcoming of tumor drug resistance by polyvalent cationic peptides

“…The expression of these proteins play an important role in key cellular processes, it is significantly higher in analyzed tumors than in morphologically normal cells and tissues. 2,5 It is a basis for the selective cytotoxicity of the CPs, which are considered as a ligands for nucleolin, which is highly expressed on the surface of tumor cells. These chaperone proteins have anticancer, antiviral and immunomodulatory activities.…”

“…It explains the selective cytotoxicity of CPs, which are considered as a ligands for nucleolin, which is highly expressed on membranes of tumor cells, and nucleophosmin. 2 These nucleolar proteins regulate the activity of most cellular enzymes, ribosomal biogenesis, cell spindle assembly, chromatin remodeling , transcription and translation, and other vital processes. Therefore, the protein inactivation leads to cell death.…”

Perspective approach for cutaneous melanoma treatment by cationic peptides

“…Identification of CPs as a potential ligands to target NCL and NPM proteins has been done by molecular docking using Maestro program described previously. 2,3…”