Machine learning in drug discovery: a review

S Dara, S Dhamercherla, SS Jadav, CHM Babu… - Artificial intelligence …, 2022 - Springer
This review provides the feasible literature on drug discovery through ML tools and
techniques that are enforced in every phase of drug development to accelerate the research …

Artificial intelligence and machine learning technology driven modern drug discovery and development

C Sarkar, B Das, VS Rawat, JB Wahlang… - International Journal of …, 2023 - mdpi.com
The discovery and advances of medicines may be considered as the ultimate relevant
translational science effort that adds to human invulnerability and happiness. But advancing …

Small molecules, big targets: drug discovery faces the protein–protein interaction challenge

DE Scott, AR Bayly, C Abell, J Skidmore - Nature Reviews Drug …, 2016 - nature.com
Protein–protein interactions (PPIs) are of pivotal importance in the regulation of biological
systems and are consequently implicated in the development of disease states. Recent work …

Artificial intelligence in drug design

F Zhong, J Xing, X Li, X Liu, Z Fu, Z Xiong, D Lu… - Science China Life …, 2018 - Springer
Thanks to the fast improvement of the computing power and the rapid development of the
computational chemistry and biology, the computer-aided drug design techniques have …

State-of-the-art strategies for targeting protein–protein interactions by small-molecule inhibitors

C Sheng, G Dong, Z Miao, W Zhang… - Chemical Society …, 2015 - pubs.rsc.org
Targeting protein–protein interactions (PPIs) has emerged as a viable approach in modern
drug discovery. However, the identification of small molecules enabling us to effectively …

Molecular recognition features (MoRFs) in three domains of life

J Yan, AK Dunker, VN Uversky, L Kurgan - Molecular BioSystems, 2016 - pubs.rsc.org
Intrinsically disordered proteins and protein regions offer numerous advantages in the
context of protein–protein interactions when compared to the structured proteins and …

Drug‐Like Protein Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology

BO Villoutreix, MA Kuenemann, JL Poyet… - Molecular …, 2014 - Wiley Online Library
Fundamental processes in living cells are largely controlled by macromolecular interactions
and among them, protein protein interactions (PPIs) have a critical role while their …

Surfing the protein-protein interaction surface using docking methods: application to the design of PPI inhibitors

R Sable, S Jois - Molecules, 2015 - mdpi.com
Blocking protein-protein interactions (PPI) using small molecules or peptides modulates
biochemical pathways and has therapeutic significance. PPI inhibition for designing drug …

Computational methods-guided design of modulators targeting protein-protein interactions (PPIs)

Y Qiu, X Li, X He, J Pu, J Zhang, S Lu - European Journal of Medicinal …, 2020 - Elsevier
Protein-protein interactions (PPIs) play a pivotal role in extensive biological processes and
are thus crucial to human health and the development of disease states. Due to their critical …

Trends in modern drug discovery

J Eder, PL Herrling - New approaches to drug discovery, 2016 - Springer
Drugs discovered by the pharmaceutical industry over the past 100 years have dramatically
changed the practice of medicine and impacted on many aspects of our culture. For many …