Recently, using artificial intelligence (AI) in drug discovery has received much attention
since it significantly shortens the time and cost of developing new drugs. Deep learning (DL) …

Natural products have played a critical role in medicine due to their ability to bind and
modulate cellular targets involved in disease. Medicinal plants hold a variety of bioactive …

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 …

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 …

Identification of drug–target interactions is an important process in drug discovery. Although
high-throughput screening and other biological assays are becoming available …

Despite considerable progress in genome-and proteome-based high-throughput screening
methods and in rational drug design, the increase in approved drugs in the past decade did …

With tens of thousands of plant species on earth, we are endowed with an enormous wealth
of medicinal remedies from Mother Nature. Natural products and their derivatives represent …

Abstract DrugBank (http://www. drugbank. ca) is a richly annotated database of drug and
drug target information. It contains extensive data on the nomenclature, ontology, chemistry …

Drug discovery and development affects various aspects of human health and dramatically
impacts the pharmaceutical market. However, investments in a new drug often go …

Abstract The Drug-Gene Interaction database (DGIdb) mines existing resources that
generate hypotheses about how mutated genes might be targeted therapeutically or …