Pharmacophore modeling and virtual screening are indispensable tools in
modern drug discovery. Pharmacophore models define the essential features and spatial
arrangement required for a molecule to interact with a specific target. Virtual
screening, powered by computational algorithms, efficiently sifts through vast chemical
libraries to identify potential drug candidates. Recent advances in machine learning and
molecular dynamics simulations have further enhanced the accuracy and applicability
of these methods. Pharmacophore modeling and virtual screening continue to play
crucial roles in expediting the drug discovery process, offering a strategic advantage to
pharmaceutical research.
Keywords: Drug design, In silico, Lead optimization, Modelling, Pharmacophore, Virtual screening.
