Phytochemicals for Drug Discovery in Alzheimer's Disease: In Silico Advances

Curr Pharm Des. 2021;27(25):2848-2860. doi: 10.2174/1381612826666200928161721.

Abstract

The search for novel drugs that can prevent or control Alzheimer's disease has attracted a lot of attention from researchers across the globe. Phytochemicals are increasingly being used to provide scaffolds to design drugs for AD. In silico techniques have proven to be a game-changer in this drug design and development process. In this review, the authors have focussed on current advances in the field of in silico medicine, applied to phytochemicals, to discover novel drugs to prevent or cure AD. After giving a brief context of the etiology and available drug targets for AD, authors have discussed the latest advances and techniques in computational drug design of AD from phytochemicals. Some of the prototypical studies in this area are discussed in detail. In silico phytochemical analysis is a tool of choice for researchers all across the globe and helps integrate chemical biology with drug design.

Keywords: Alzheimer's disease; In silico medicine; computational drug design; drug targets.; molecular modelling; phytochemicals.

Publication types

  • Review

MeSH terms

  • Alzheimer Disease* / drug therapy
  • Computer Simulation
  • Drug Design
  • Drug Discovery
  • Humans
  • Phytochemicals / pharmacology

Substances

  • Phytochemicals