Molecular Docking, Synthesis, in Silico and in vitro
Screening of Substituted Aryl Ureido Analogues as
BACE1 Inhibitors to target Alzheimer’s Disease

Archana S Gurjar; Vinay Velingkar; Vincenza Andrisano; Angela D Simone

doi:10.26717/BJSTR.2018.11.002140

Research ArticleOpen Access

Molecular Docking, Synthesis, in Silico and in vitro Screening of Substituted Aryl Ureido Analogues as BACE1 Inhibitors to target Alzheimer’s Disease

Volume 11 - Issue 4

**Archana S Gurjar*¹, Vinay Velingkar², Vincenza Andrisano³ and Angela D Simone³**

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- ¹Department of Pharmaceutical Chemistry, India
- ²HK College of Pharmacy, India
- ³Department for Life Quality Studies, India

Received: November 16, 2018; Published: December 04, 2018

DOI: 10.26717/BJSTR.2018.11.002140

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Abstract

BACE1 plays critical role in the formation of neurotoxic β-amyloid (Aβ) peptides in brain and so is regarded as an ideal drug design target for Alzheimer’s disease. With this perspective, we have designed BACE1 inhibitors, specifically substituted aryl ureido analogues. Docking studies revealed interactions with the crucial catalytic Aspartate dyad of BACE1 enzyme. In silico ADME studies predicted favourable drug like properties for these analogues. Molecular docking results were in consensus with the pharmacological screening of the synthesized analogues. Overall results indicate that analogue 4c and 4d exhibit equivalent BACE1 enzyme inhibition.

Keywords : BACE1; Aryl Ureido Analogues; Molecular Docking; in Silico ADME; In Vitro; FRET Assay