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Updated: Jun 10, 2026

A Fluorescence-based Lymphocyte Assay Suitable for High-throughput Screening of Small Molecules

A Fluorescence-based Lymphocyte Assay Suitable for High-throughput Screening of Small Molecules

Published on: March 10, 2017

Virtual screening of compound libraries.

Nuno M F S A Cerqueira¹, Sérgio F Sousa, Pedro A Fernandes

¹Theoretical and Computational Chemistry Research Group, REQUIMTE, Departamento de Química Faculdade de Ciências, Universidade do Porto, Porto, Portugal.

Methods in Molecular Biology (Clifton, N.J.)

|August 10, 2010

Summary

Virtual Screening (VS) is a key computational method in drug discovery. This review covers various VS techniques and essential steps for successful drug candidate identification, highlighting real-world successes.

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Area of Science:

Computational Chemistry
Medicinal Chemistry
Drug Discovery and Development

Background:

Virtual Screening (VS) has become integral to modern drug discovery.
The field encompasses diverse computational methodologies for identifying potential drug candidates from large chemical libraries.
A clear understanding of VS approaches and their implementation is crucial for efficient drug development.

Purpose of the Study:

To provide a comprehensive introduction to the field of Virtual Screening.
To review different types of VS methodologies and their applications.
To outline the critical steps involved in a successful VS campaign, from target selection to postfilter analysis.

Main Methods:

Review of various Virtual Screening methodologies.
Detailed examination of the stages in a state-of-the-art VS campaign.
Inclusion of case studies illustrating VS success stories.

Main Results:

Identification and categorization of diverse VS techniques.
Elucidation of a structured, multi-step approach for effective VS.
Demonstration of VS efficacy through documented success stories in drug discovery.

Conclusions:

Virtual Screening is a powerful and versatile computational tool in drug discovery.
A systematic approach, encompassing target selection through postfilter application, is vital for successful VS campaigns.
The presented overview and success stories underscore the significant impact of VS on accelerating the development of new therapeutics.