Artificial intelligence for natural product drug discovery

MW Mullowney, KR Duncan, SS Elsayed… - Nature Reviews Drug …, 2023 - nature.com
Developments in computational omics technologies have provided new means to access
the hidden diversity of natural products, unearthing new potential for drug discovery. In …

Pharmacophore modeling and applications in drug discovery: challenges and recent advances

SY Yang - Drug discovery today, 2010 - Elsevier
Pharmacophore approaches have become one of the major tools in drug discovery after the
past century's development. Various ligand-based and structure-based methods have been …

A review on coumarins as acetylcholinesterase inhibitors for Alzheimer's disease

P Anand, B Singh, N Singh - Bioorganic & medicinal chemistry, 2012 - Elsevier
Acetylcholinesterase (AChE) enzyme inhibition is an important target for the management of
Alzheimer disease (AD) and AChE inhibitors are the main stay drugs for its management …

Coumarins as antioxidants

I Kostova, S Bhatia, P Grigorov… - Current medicinal …, 2011 - ingentaconnect.com
Coumarins, a well-known class of naturally occurring compounds, display a remarkable
array of biochemical and pharmacological actions, some of which suggest that certain …

Dereplication: racing to speed up the natural products discovery process

SP Gaudêncio, F Pereira - Natural product reports, 2015 - pubs.rsc.org
Covering: 1993–2014 (July) To alleviate the dereplication holdup, which is a major
bottleneck in natural products discovery, scientists have been conducting their research …

Naturally occurring acetylcholinesterase inhibitors and their potential use for Alzheimer's disease therapy

TC Santos, TM Gomes, BAS Pinto… - Frontiers in …, 2018 - frontiersin.org
Alzheimer's disease (AD) is a main cause of dementia, accounting for up to 75% of all
dementia cases. Pathophysiological processes described for AD progression involve …

Computer-aided drug discovery and development (CADDD): in silico-chemico-biological approach

IM Kapetanovic - Chemico-biological interactions, 2008 - Elsevier
It is generally recognized that drug discovery and development are very time and resources
consuming processes. There is an ever growing effort to apply computational power to the …

Acetylcholinesterase inhibitors from plants and fungi

PJ Houghton, Y Ren, MJ Howes - Natural product reports, 2006 - pubs.rsc.org
Covering: January 1980 to August 2005This review describes 183 compounds obtained
from plants and fungi which have been shown to inhibit acetylcholinesterase. The …

In silico pharmacology for drug discovery: applications to targets and beyond

S Ekins, J Mestres, B Testa - British journal of pharmacology, 2007 - Wiley Online Library
Computational (in silico) methods have been developed and widely applied to
pharmacology hypothesis development and testing. These in silico methods include …

Virtual screening in drug discovery-a computational perspective

AS Reddy, SP Pati, PP Kumar… - Current Protein and …, 2007 - ingentaconnect.com
Virtual screening emerged as an important tool in our quest to access novel drug like
compounds. There are a wide range of comparable and contrasting methodological …