Computer-aided drug discovery techniques reduce the time and the costs needed to
develop novel drugs. Their relevance becomes more and more evident with the needs due …

Drug discovery is a cost and time-intensive process that is often assisted by computational
methods, such as virtual screening, to speed up and guide the design of new compounds …

The current emergency due to the worldwide spread of the COVID-19 caused by the new
severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a great concern for …

Abstract 3D pharmacophore models are three‐dimensional ensembles of chemically
defined interactions of a ligand in its bioactive conformation. They represent an elegant way …

SwissSimilarity is a new web tool for rapid ligand-based virtual screening of small to
unprecedented ultralarge libraries of small molecules. Screenable compounds include …

New pharmacologically active complexes were prepared from Pd (II), Fe (III), and Cu (II) ions
with 2-amino-6-oxo-3-(piperidinylamidino)-4-(4methoxyphenyl)-6, 7-dihydro-pyrano [2, 3-d] …

A series of new bis-hydrazone complexes was obtained from ((N'E, N'''E)-2, 2′-(1, 3-
phenylenebis (oxy)) bis (N'-(4, 5-di-tert-butyl-2-hydroxybenzylidene) acetohydrazide)) ligand …

The interplay between life sciences and advancing technology drives a continuous cycle of
chemical data growth; these data are most often stored in open or partially open databases …

Two thiazole-based complexes were prepared from Co (II) and Cu (II) ions. The new ligand
and its complexes were fully characterized by analytical and spectral techniques. The ligand …

An alternative sequence of bioactive series, using novel Schiff base derivative (1-Quinolin-8-
yliminomethyl-naphthalen-2-ol), was produced (HNQ). Elements analysis, molar …