Synthesis and Molecular Drug Validations of 1H-Benzo[d]imidazol-2-amine Derivatives: Molecular Docking and its Biological Activities

Abstract

Molecular adaptation of small molecules that are targeted as therapeutic agents is a most anticipated one in drug designing and development. In the present approach, a family of substituted 1H-benzo[d]imidazol-2-amine derivatives (5a-d and 6a-e) were effectively synthesised and testified for their molecular adaptations in order to develop them as novel medications against oxidation, inflammation and inflammation associated cancer types by means of in silico and in vitro assessments. Chronic inflammation, regardless of infectious agents, plays a vital role in various cancer development. Moreover, hypoxia-inflammation-cancer are highly associated together. Hydrogen peroxide free-radical scavenging, HRBC membrane stabilization assay and cell viability test by MTT assay (macrophage) were executed to establish antioxidant, anti-inflammatory and anticancer properties of these compounds. As the prostaglandin-endoperoxide synthase 2 is highly involved in inflammation and cancer development respectively, molecular docking was executed on the corresponding X-ray crystallographic models (PDB structures).

Microwave-assisted synthesis of 2,8-di(alkyl/aryl)-4,6-dichloro-2H,8H-pyrano[3,2-g] chromene-3,7-dicarbaldehydes and their antimicrobial activity

“…In previous approaches, 4,6-diacetylresorcinol (1) was condensed with different aromatic aldehydes in 1 % ethanolic sodium hydroxide to give the corresponding chalcones, [30][31][32] which were further converted to bisflavanones. 33 There was no evidence of the formation of bisflavanones in a single step.…”