Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Drug Discovery: Overview01:26

Drug Discovery: Overview

Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
Structure-Activity Relationships and Drug Design01:28

Structure-Activity Relationships and Drug Design

Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence its...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Comparative study of three-dimensional versus two-dimensional video-assisted thoracoscopic two-port lobectomy.

Thoracic cancer·2016
Same author

Macrophages Undergo M1-to-M2 Transition in Adipose Tissue Regeneration in a Rat Tissue Engineering Model.

Artificial organs·2016
Same author

Bone morphogenetic protein 9 (BMP9) induces effective bone formation from reversibly immortalized multipotent adipose-derived (iMAD) mesenchymal stem cells.

American journal of translational research·2016
Same author

The role of perineural invasion on head and neck adenoid cystic carcinoma prognosis: a systematic review and meta-analysis.

Oral surgery, oral medicine, oral pathology and oral radiology·2016
Same author

Heterotypic 3D tumor culture in a reusable platform using pneumatic microfluidics.

Lab on a chip·2016
Same author

Correction to 'Different effects of invader-native phylogenetic relatedness on invasion success and impact: a meta-analysis of Darwin's naturalization hypothesis'.

Proceedings. Biological sciences·2016

Related Experiment Video

Updated: Jun 2, 2026

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
08:21

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids

Published on: April 13, 2022

Compound acquisition and prioritization algorithm for constructing structurally diverse compound libraries.

Chao Ma1, John S Lazo, Xiang-Qun Xie

  • 1Department of Pharmaceutical Sciences, School of Pharmacy, University of Pittsburgh , Pittsburgh, Pennsylvania 15260, United States.

ACS Combinatorial Science
|April 13, 2011
PubMed
Summary
This summary is machine-generated.

We developed a new algorithm to prioritize compounds for purchase or synthesis, enhancing chemical library diversity. This distance-based method improves selection for screening and synthesis applications.

More Related Videos

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source
08:35

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source

Published on: May 29, 2021

Creating Highly Specific Chemically Induced Protein Dimerization Systems by Stepwise Phage Selection of a Combinatorial Single-Domain Antibody Library
10:17

Creating Highly Specific Chemically Induced Protein Dimerization Systems by Stepwise Phage Selection of a Combinatorial Single-Domain Antibody Library

Published on: January 14, 2020

Related Experiment Videos

Last Updated: Jun 2, 2026

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
08:21

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids

Published on: April 13, 2022

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source
08:35

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source

Published on: May 29, 2021

Creating Highly Specific Chemically Induced Protein Dimerization Systems by Stepwise Phage Selection of a Combinatorial Single-Domain Antibody Library
10:17

Creating Highly Specific Chemically Induced Protein Dimerization Systems by Stepwise Phage Selection of a Combinatorial Single-Domain Antibody Library

Published on: January 14, 2020

Area of Science:

  • Medicinal Chemistry
  • Computational Chemistry
  • Drug Discovery

Background:

  • Enhancing chemical library diversity is crucial for effective drug discovery and screening.
  • Existing methods for compound acquisition may not optimally increase structural diversity.
  • Rational design strategies are needed to guide the selection of novel compounds.

Purpose of the Study:

  • To establish a compound acquisition and prioritization algorithm.
  • To increase the structural diversity of existing compound collections.
  • To provide a rational approach for chemical library design.

Main Methods:

  • Utilized chemistry-space calculations based on Burden CAS University of Texas (BCUT) descriptors.
  • Applied a derived distance-based selection rule for compound acquisition.
  • Performed pairwise similarity calculations and cell-partition statistics.
  • Investigated the correlation between chemistry-space distance and Tanimoto similarity index using weighted linear regression.

Main Results:

  • The distance-based selection rule effectively identified compounds for acquisition.
  • Results were supported by similarity calculations and statistical analyses in chemistry space.
  • Weighted linear regression confirmed the relationship between distance and similarity, justifying the strategy.
  • The algorithm demonstrated advantages in prioritizing compound selection.

Conclusions:

  • The developed algorithm offers a rational approach for enhancing chemical library diversity.
  • This method is beneficial for in silico screening, diversity-oriented synthesis, and high-throughput screening.
  • Prioritizing compound selection using this distance-based rule improves overall structural diversity.