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Volume 12 Issue 07
July 2026
Author(s)
Abstract
3D Pharmacophore-based Techniques Are Crucial For Virtual Screening Of Large Compound Databases. They Offer An Intuitive Approach But Pose Algorithmic Challenges. This Review Discusses Strategies And Algorithms Used In Pharmacophore Modeling Platforms, High Lighting Their Differences. Virtual Screening Helps Predict Molecule Activity, Reducing Costs And Resources Needed For Drug Development By Identifying Promising Leads For Lab Experiments. Pharmacophore Models Can Be Developed When A Protein Target's 3D Structure Is Unknown Or When Ligands Are Available. These Models, Based On Chemical Features Like Hydrogen-bond Acceptors/donors, Are Used For Virtual Screening Of Databases.3D Pharmacophores Consider Featureslikehydrophobicpoints,acidic/basicgroups,andhydrogenbonding.Virtualscreening With 3D Pharmacophores Requires Advanced Tools Due To Increased Complexity. The Chemical Function-based Approach Is Widely Used, Defining Inter Actions Between Molecules And Proteins
Keywords
Paper ID
IJSARTV11I8103974
Publication Date
August 19, 2025
Research Area
Chemistry