Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Pharmacogenomics: Identification of New Drug Targets

Pharmacogenomics: Identification of New Drug Targets

Advances in genomics have profoundly influenced drug discovery by increasing both the speed and accuracy of pharmaceutical development. Pharmacogenomics, which examines how genetic variation influences drug response, facilitates the identification of novel therapeutic targets and enables patient stratification for personalized treatment. These strategies contribute to improved drug efficacy, minimized adverse effects, and more efficient clinical trial design.Mapping genetic differences...

You might also read

Related Articles

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

Sort by

Same author

Selective targeting of human TREX1 exonuclease by small molecule inhibitors is mediated by a conformational switch.

NAR molecular medicine·2026

Same author

Collapsing retroviruses for efficient delivery of viro-toxic cargoes.

bioRxiv : the preprint server for biology·2026

Same author

Full-length structure of the anti-viral and pro-tumor DNA deaminase APOBEC3B.

bioRxiv : the preprint server for biology·2026

Same author

<i>seekrflow</i>: Towards an End-to-End Automated Simulation Pipeline with Machine-Learned Force Fields for Accelerated Drug-Target Kinetic and Thermodynamic Predictions.

Journal of chemical theory and computation·2026

Same author

Identification of Nsp15 inhibitors restoring interferon-dependent antiviral activity against SARS-CoV-2.

Antiviral research·2026

Same author

Condensate-Like Organization in Respiratory Aerosols Modulates the Dynamics of an Airborne Virus.

bioRxiv : the preprint server for biology·2026

Search research articles

Related Experiment Video

Updated: May 12, 2026

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

Published on: October 26, 2015

Development of Allosteric Small Molecule APOBEC3B Inhibitors from In Silico Screening.

Katherine F M Jones¹, Özlem Demir², Mackenzie K Wyllie³

¹Department of Chemistry, University of Minnesota, Minneapolis, MN, USA.

Biorxiv : the Preprint Server for Biology

|May 7, 2024

Summary

Researchers identified novel small molecule inhibitors for APOBEC3B, a key driver of tumor mutations and therapy resistance. These compounds show promise for developing new cancer treatments by targeting the APOBEC3B C-terminal domain.

More Related Videos

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

Screening Traditional Chinese Medicine Compounds for Inhibiting UCHL3 Activity Based on Molecular Docking and Deubiquitinating Enzyme Probe Technology

Screening Traditional Chinese Medicine Compounds for Inhibiting UCHL3 Activity Based on Molecular Docking and Deubiquitinating Enzyme Probe Technology

Published on: November 22, 2024

Related Experiment Videos

Last Updated: May 12, 2026

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

Published on: October 26, 2015

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

Screening Traditional Chinese Medicine Compounds for Inhibiting UCHL3 Activity Based on Molecular Docking and Deubiquitinating Enzyme Probe Technology

Screening Traditional Chinese Medicine Compounds for Inhibiting UCHL3 Activity Based on Molecular Docking and Deubiquitinating Enzyme Probe Technology

Published on: November 22, 2024

Area of Science:

Biochemistry
Molecular Biology
Drug Discovery

Background:

APOBEC3B cytosine deaminase drives tumor mutations, progression, and therapy resistance.
Targeting APOBEC3B with small molecules offers a strategy to mitigate these negative effects.

Approach:

Utilized molecular dynamics (MD) simulations and computational solvent mapping to identify a novel allosteric pocket on APOBEC3B C-terminal domain (A3Bctd).
Performed virtual screening of ~110,000 compounds against active and allosteric sites of A3Bctd.
Validated 13 hit compounds through biochemical and orthogonal NMR assays.

Key Points:

Identified a novel allosteric pocket on A3Bctd.
Discovered 13 potential APOBEC3B inhibitor compounds.
Demonstrated preferential inhibition of A3Bctd over APOBEC3A (A3A), potentially due to steric hindrance from H56 in A3A.

Conclusions:

This study presents the first virtual screening campaign yielding candidate inhibitors for A3Bctd.
The identified compounds are suitable for further development as therapeutic agents against APOBEC3B-driven cancers.
The findings open new avenues for cancer therapy by targeting mutational processes.