Molecular in Silico Test of the Interaction Between Keloid Cell Protein TGF – β1 (PDB ID: 3TZM) and Lycopene Compounds

Abstract

Keloids are pathological scars, characterized histologically by excessive aggregation of type I collagen and fibroblasts in the reticular dermis inflammation. Scar tissue (keloid) is one problem the most frustrating in wound healing. Clinically, keloids are defined as a scar that invades adjacent healthy tissue and seldom experience regression along time. Keloids can be said to be a disorder of the healing wound, which form growth excessive from network scar, exceed limit wound, and beyond the normal time (can be years) wound healing process. In this research conducted development drug anti - keloids in silicon from compound secondary metabolites Lycopene with target protein TGF-β1 with code PDB ID: 3TZM. Testing conducted with series process covers analysis of compounds and proteins, physicochemical properties, ADME, RMSD value ≤ 2 Å, geometry optimization, 3D and 2D interactions between compounds and target proteins using DOCK 6. Based on results test in silicon, will be obtained compound docking score quercetin with the 3TZM ligand that t has the potential to be developed into one candidate drug anti keloids with score bond energy free (affinity) – 71,453, van derwals bond energy value (vdw) -71,990, ES energy value 0,536 and internal repulsive energy value 72,413.