Protein domain-based prediction of drug/ compound-target interactions and experimental validation on LIM kinases

Predictive approaches such as virtual screening have been used in drug discovery with the objective of reducing developmental time and costs. Current machine learning and networkbased approaches have issues related to generalization, usability, or model interpretability, especially due to the comple...

Full description

Bibliographic Details
Main Authors:	Atas, H. (Author), Baumann, M. (Author), Baxendale, I.R (Author), Cetin-Atalay, R. (Author), Doǧan, T. (Author), Güzelcan, E.A (Author), Koyas, A. (Author), Martin, M. (Author)
Format:	Article
Language:	English
Published:	Public Library of Science 2021
Subjects:	actin actin depolymerizing factor Actin Depolymerizing Factors actin filament Article biology cancer cell cell cycle progression cell differentiation Cell Line, Tumor cell migration cell motility cell motion Cell Movement chemistry cofilin Computational Biology computer interface computer simulation Computer Simulation controlled study drug development Drug Development Drug Discovery drug effect Drug Evaluation, Preclinical drug interaction Drug Interactions drug protein binding drug structure drug synthesis drug targeting embryo enzyme inhibition enzyme phosphorylation enzymology experimental study HCT 116 cell line HEK293 cell line Huh-7 cell line human human cell Humans in vitro study In Vitro Techniques ligand Ligands LIM kinase LIM kinase inhibitor 1 LIM kinase inhibitor 1a LIM kinase inhibitor 2 LIM kinase inhibitor 2a LIM kinase inhibitor 2b LIM kinase inhibitor 2c LIM kinase inhibitor 2d LIM kinase inhibitor 3 Lim Kinases machine learning Machine Learning Mahlavu cell line MCF-7 cell line metabolism molecular docking Molecular Docking Simulation neoplasm Neoplasm Invasiveness Neoplasms Network Pharmacology phosphorylation Phosphorylation preclinical study prediction prevention and control protein domain Protein Domains protein kinase inhibitor Protein Kinase Inhibitors protein serine threonine kinase inhibitor tumor cell line tumor invasion unclassified drug User-Computer Interface validation study
Online Access:	View Fulltext in Publisher

Internet

View Fulltext in Publisher

Protein domain-based prediction of drug/ compound-target interactions and experimental validation on LIM kinases

Internet

Similar Items