A review on quinazoline containing compounds: Molecular docking and pharmacological activites

Molecular docking is a routinely employed tool in computer-aided structure-based rational drug design. It
evaluates how well the ligands, or small molecules, and the target molecule fit together. In order to predict
how minute molecules will interact with a target protein whose 3D structure is known, a programme called
Auto Dock Tools (ADT) was developed. In this docking study, the ligand position within the enzyme
binding site and the binding energy may both be visualised. It can be utilised to create novel medications
and comprehend how binding works. The heterocyclic nitrogen-containing compound quinazoline, which
is a constituent of many synthetic molecules, can be produced via a variety of synthetic methods.
Quinazoline and quinazolinone scaffolds have caught the interest of medicinal chemists for the development
of novel medications or therapeutic prospects due to their distinct pharmacological features. In addition
to its diverse applications, quinazoline has anticancer, antimicrobial, anticonvulsant, and antihyperlipidemic
properties. The pharmacological activity and molecular docking studies of quinazoline scaffolds are
summarised in this article. The review also helps to hasten the drug development process by identifying
the potential contribution of these hybridised pharmacophoric traits to the manifestation of various
pharmacological actions.