Natural product drug discovery in the artificial intelligence era

FI Saldívar-González, VD Aldas-Bulos… - Chemical …, 2022 - pubs.rsc.org
Natural products (NPs) are primarily recognized as privileged structures to interact with
protein drug targets. Their unique characteristics and structural diversity continue to marvel …

Intracellular delivery by membrane disruption: mechanisms, strategies, and concepts

MP Stewart, R Langer, KF Jensen - Chemical reviews, 2018 - ACS Publications
Intracellular delivery is a key step in biological research and has enabled decades of
biomedical discoveries. It is also becoming increasingly important in industrial and medical …

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 …

Getting across the cell membrane: an overview for small molecules, peptides, and proteins

NJ Yang, MJ Hinner - Site-Specific Protein Labeling: Methods and …, 2015 - Springer
The ability to efficiently access cytosolic proteins is desired in both biological research and
medicine. However, targeting intracellular proteins is often challenging, because to reach …

Synthetic biology for the directed evolution of protein biocatalysts: navigating sequence space intelligently

A Currin, N Swainston, PJ Day, DB Kell - Chemical Society Reviews, 2015 - pubs.rsc.org
The amino acid sequence of a protein affects both its structure and its function. Thus, the
ability to modify the sequence, and hence the structure and activity, of individual proteins in …

Iron behaving badly: inappropriate iron chelation as a major contributor to the aetiology of vascular and other progressive inflammatory and degenerative diseases

DB Kell - BMC medical genomics, 2009 - Springer
Background The production of peroxide and superoxide is an inevitable consequence of
aerobic metabolism, and while these particular'reactive oxygen species'(ROSs) can exhibit a …

NPACT: naturally occurring plant-based anti-cancer compound-activity-target database

M Mangal, P Sagar, H Singh, GPS Raghava… - Nucleic acids …, 2013 - academic.oup.com
Plant-derived molecules have been highly valued by biomedical researchers and
pharmaceutical companies for developing drugs, as they are thought to be optimized during …

Toward in silico structure-based ADMET prediction in drug discovery

G Moroy, VY Martiny, P Vayer, BO Villoutreix… - Drug discovery today, 2012 - Elsevier
Quantitative structure–activity relationship (QSAR) methods and related approaches have
been used to investigate the molecular features that influence the absorption, distribution …

Towards a unifying, systems biology understanding of large-scale cellular death and destruction caused by poorly liganded iron: Parkinson's, Huntington's …

DB Kell - Archives of toxicology, 2010 - Springer
Exposure to a variety of toxins and/or infectious agents leads to disease, degeneration and
death, often characterised by circumstances in which cells or tissues do not merely die and …

A comprehensive analysis into the therapeutic application of natural products as SIRT6 modulators in Alzheimer's disease, aging, cancer, inflammation, and diabetes

R Akter, A Afrose, MR Rahman, R Chowdhury… - International journal of …, 2021 - mdpi.com
Natural products have long been used as drugs to treat a wide array of human diseases.
The lead compounds discovered from natural sources are used as novel templates for …