Ontology highlight
ABSTRACT:
SUBMITTER: de Oliveira TA
PROVIDER: S-EPMC8874395 | biostudies-literature | 2022 Jan
REPOSITORIES: biostudies-literature
de Oliveira Tiago Alves TA Medaglia Lucas Rolim LR Maia Eduardo Habib Bechelane EHB Assis Letícia Cristina LC de Carvalho Paulo Batista PB da Silva Alisson Marques AM Taranto Alex Gutterres AG
Pharmaceuticals (Basel, Switzerland) 20220122 2
DNA is a molecular target for the treatment of several diseases, including cancer, but there are few docking methodologies exploring the interactions between nucleic acids with DNA intercalating agents. Different docking methodologies, such as AutoDock Vina, DOCK 6, and Consensus, implemented into Molecular Architect (MolAr), were evaluated for their ability to analyze those interactions, considering visual inspection, redocking, and ROC curve. Ligands were refined by Parametric Method 7 (PM7), ...[more]