Histone deacetylase 6

A novel series of s-triazine derivatives was designed and screened for in silico an cancer activity in histone deacetylase 6 (HDAC6) target by molecular docking method using AutoDock Vina.

10p vifilm 11-10-2024 3 1   Download

In this study, 2D-QSAR analysis and molecular docking were performed to investigate the relationship between the hydroxamatebased HDAC inhibitors with benzimidazole scaffold and the activity toward HDAC6. A dataset of 55 N-hydroxybenzamide, Nhydroxypropenamide derivatives containing benzimidazole structure with HDAC6 in vitro activity were collected.

8p vihyuga 04-03-2025 3 1   Download

This study aims to generate the system of histone deacetylase enzymes (HDAC) with its cofactor zinc ion using two different parameter models and application of molecular dynamic (MD) study for structure of HDAC2 and vorinostat ligand. Materials and methods: Two non-bonded models, including 12-6-4 Lennard-Jones and cationic dummy atom, were applied for building a solvation system of HDAC2 crystal structure with presence of suber-anilohydroxamic acid (SAHA) and zinc ion.

9p vihyuga 04-03-2025 4 1   Download