Machine learning-based modeling to predict inhibitors of acetylcholinesterase
Acetylcholinesterase enzyme is responsible for the degradation of acetylcholine and is an
important drug target for the treatment of Alzheimer's disease. When this enzyme is inhibited …
important drug target for the treatment of Alzheimer's disease. When this enzyme is inhibited …
Computer-aided drug design
PV Bharatam - Drug discovery and development: From targets and …, 2021 - Springer
Abstract Computer-Aided Drug Design topic deals with the application of computer
hardware and software to provide solutions at every stage of drug discovery. QSAR methods …
hardware and software to provide solutions at every stage of drug discovery. QSAR methods …
New fused pyrimidine derivatives with anticancer activity: synthesis, topoisomerase II inhibition, apoptotic inducing activity and molecular modeling study
MTM Nemr, AM AboulMagd - Bioorganic Chemistry, 2020 - Elsevier
A new series of triazolopyrimidines and thiazolopyrimidine hydrobromides was designed
and prepared as topoisomerase II inhibitors. Screening of all synthesized compounds was …
and prepared as topoisomerase II inhibitors. Screening of all synthesized compounds was …
TMLRpred: A machine learning classification model to distinguish reversible EGFR double mutant inhibitors
R Saini, S Fatima, SM Agarwal - Chemical Biology & Drug …, 2020 - Wiley Online Library
The EGFR is a clinically important therapeutic drug target in lung cancer. The first‐
generation tyrosine kinase inhibitors used in clinics are effective against L858R‐mutated …
generation tyrosine kinase inhibitors used in clinics are effective against L858R‐mutated …
Molecular dynamics simulations of sulfone derivatives in complex with DNA topoisomerase IIα ATPase domain
K Verma, P Mahalapbutr… - Journal of …, 2022 - Taylor & Francis
Human topoisomerase II alpha (TopoIIα) is a crucial enzyme involved in maintaining
genomic integrity during the process of DNA replication and mitotic division. It is a vital …
genomic integrity during the process of DNA replication and mitotic division. It is a vital …