Machine learning in drug discovery: a review
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 …
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 …
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 …
systems and are consequently implicated in the development of disease states. Recent work …
Artificial intelligence in drug design
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 …
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 …
drug discovery. However, the identification of small molecules enabling us to effectively …
Molecular recognition features (MoRFs) in three domains of life
Intrinsically disordered proteins and protein regions offer numerous advantages in the
context of protein–protein interactions when compared to the structured proteins and …
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 …
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 …
biochemical pathways and has therapeutic significance. PPI inhibition for designing drug …
Computational methods-guided design of modulators targeting protein-protein interactions (PPIs)
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 …
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 …
changed the practice of medicine and impacted on many aspects of our culture. For many …