… The best five-features pharmacophore model, which includes one hydrogen bond donor …
set of 26 test molecules with a correlation of R 2 = 0.830. Our pharmacophore model also has a …

… The main objective of the present study was to discover new molecular entity that acts as a
Top1 poison with improved efficacy. We initiated our study by pharmacophore modeling and …

… to our proposed pharmacophore model. For molecular docking, the protein and the ligands
to be docked should be in the appropriate conformations. As the protein, acetohydroxamate-…

… generations of the pharmacophore model which predicts Tyr48 … In our molecular docking
simulation on 1US0, we found that … ; this data is well correlated with the pharmacophore model. …

… Our previous use of 2D QSAR, 3D pharmacophore models, and molecular docking
experiments to successfully predict activity indicates that this can be a very powerful technique for …

… The best pharmacophore model was used as a 3D … Pharmacophore Mapping protocol.
The compounds which fitted all the pharmacophore features of the best pharmacophore model …

… dimedone in a single molecular framework were designed and synthesized. We subjected
our target compounds to pharmacophore modeling and molecular docking on different target …

… In particular, combined pharmacophore mapping and molecular docking were used to …
3D-QSAR pharmacophore modeling. Interaction between proteins, namely, envelope G protein, …

… The Docking takes all the information from a rigid protein … docking programs available
for molecular docking studies. In … Optimisation for Ligand Docking), a docking program [36] …

… In this study, we developed a pharmacophore model of reportedly potent drugs against
severe acute respiratory syndrome coronaviruses 1 and 2 (SARS-CoV-1 and -2). The model was …