Molecular docking is a computational method for predicting the placement of ligands in the
binding sites of their receptor (s). In this review, we discuss the methodological …

Endolysins, the cell wall lytic enzymes encoded by bacteriophages to release the phage
progeny, are among the top alternatives to fight against multiresistant pathogenic bacteria; …

The requirement of the E3 ubiquitin-ligase Hakai for the ubiquitination and subsequent
degradation of E-cadherin has been associated with enhanced epithelial-to-mesenchymal …

The genome of the lactic acid bacterium Lactobacillus plantarum WCFS1 reveals the
presence of a rich repertoire of esterases and lipases highlighting their important role in …

Predicting the cellular response of compounds is a challenge central to the discovery of new
drugs. Compound biological signatures have risen as a way of representing the perturbation …

Microwave-assisted synthesis of potent PDE7 inhibitors containing a thienopyrimidin-4-amine
scaffold - Organic & Biomolecular Chemistry (RSC Publishing) DOI:10.1039/C4OB00175C …

ALFA is a fast computational tool for the conformational analysis of small molecules that
uses a custom-made iterative algorithm to provide a set of representative conformers in an …

Multi-target (mt) therapy is an attractive approach as well as a challenging task in drug
discovery research and pharmaceutical industry. The multi-target drug design strategy is an …

Galactitol-1-phosphate 5-dehydrogenase (GPDH) is a polyol dehydrogenase that belongs to
the medium-chain dehydrogenase/reductase (MDR) superfamily. It catalyses the Zn2+-and …

The current chapter introduces different aspects of molecular docking technique in order to
give an overview to the readers about the topics which will be dealt with throughout this …