Molecular docking is an established in silico structure-based method widely used in drug
discovery. Docking enables the identification of novel compounds of therapeutic interest …

The process for drug discovery and development is challenging, time consuming and
expensive. Computer-aided drug discovery (CADD) tools can act as a virtual shortcut …

Molecular docking is the most frequently used computational method for studying the
interactions between organic molecules and biological macromolecules. In this context …

In this investigation, pressure microwave irradiation was used to clarify the activity of 1-(2-
hydroxyphenyl)-3-(4-methylphenyl) prop-2-en-1-one (3) towards several active methylene …

Cancer management is major concern of health organizations and viral cancers account for
approximately 15.4% of all known human cancers. Due to large number of patients, efficient …

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 …

Drug discovery and repositioning are important processes for the pharmaceutical industry.
These processes demand a high investment in resources and are time-consuming. Several …

Molecular docking is a structure-based computational method that generates the binding
pose and affinity between ligands and targets. There are many powerful docking programs …

Automated molecular docking aims at predicting the possible interactions between two
molecules. This method has proven useful in medicinal chemistry and drug discovery …

Heterocyclic scaffolds are frequently employed in drug development to treat a variety of
conditions, including cancers. These substances have the ability to engage covalently or …