Related Experiment Video
Updated: Feb 6, 2026

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
Published on: September 26, 2025
The Development of Pharmacophore Modeling: Generation and Recent Applications in Drug Discovery
Xin Lu1, Hongyu Yang1, Yao Chen2
1Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing, 210009, China.
Background:
The pharmacophore concept in modern drug research is of great importance and promotes the development of drug industry as indicated by the number of publications available.
Methods:
In this article, we reviewed and highlighted some successful examples of pharmacophore modeling, which was applied either in virtual screening for efficient hit discovery or in the optimization of the lead compounds. Meanwhile, the analysis of some important aspects of pharmacophore modeling such as a database, the software was listed as well.
Results:
Based on the analysis of these examples, we intended to provide an overview of pharmacophore-based virtual screening, which we hope to help readers gain insight into this powerful technique.
Conclusion:
Owing to its' convenience and efficiency, pharmacophore presents an essential method for drug discovery.
More Related Videos
09:28In Vitro Transcription Assays and Their Application in Drug Discovery
Published on: September 20, 2016
10:33Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors
Published on: October 26, 2015
Related Concept Videos
Drug Discovery: Overview
Upper Respiratory Drugs: First and Second-Generation Antihistamines
Histamine binds to specific receptor sites, known as H1 receptors, on tissue cells, triggering inflammation and swelling. Antihistamines combat these effects by competing with histamine for these receptor sites. By...
In Vitro Drug Release Testing: Overview, Development and Validation
Sustainable Development
In Vitro Drug Dissolution: Compendial Testing Models I
In Vitro Drug Dissolution: Compendial Testing Models II