Abstract
The thiazole core, a five membered heterocyclic unit with sulfur and nitrogen, is found in natural products such as a component of the vitamin thiamine (B1). Thiazoles are known with wide range of pharmacological activities4.has attracted great interest due to its effective biological properties including anti-bacterial, anti-fungal, anti-tubercular activity, anti-viral, anti-inflammatory], anti-diabetic, anti-convulsant, anti-oxidant activities, and anti-cancer activities.
Rational design of HDAC inhibitors that based on Thiazole as a nucleus attached to different moieties using molecular docking studies. ADME studies will be exerted for final compounds. The MD simulation studies will be performed for the most active molecules.
The molecular docking results of designed compounds shows that several final compounds have docking score higher than the reference compound, vorinostat with 1T69 enzyme
