Evidence map›Paper›PMID 40176689›Full record

ReviewCurrent topics in medicinal chemistry2025

The Applications of Computational Tools in PROTAC Development.

Wangqiu He, Kejia Yan, Zhou Chen, Lianhua Piao, Shan Chang, Ren Kong

Abstract readReview
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In one paragraph

Review in Current topics in medicinal chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

6 authors.

Wangqiu HeInstitute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou 213001, China.
Kejia YanInstitute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou 213001, China.
Zhou ChenInstitute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou 213001, China.
Lianhua PiaoInstitute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou 213001, China.
Shan ChangInstitute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou 213001, China.
Ren KongInstitute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou 213001, China.

Funding

National Natural Science Foundation of China 81903661Postgraduate Research and Practice Innovation Program of Jiangsu Province SJCX23_1619
6 · The paper itself

Abstract

The increasing importance of PROTACs (proteolysis-targeting chimeras) has attracted significant attention from both the academic community and industry. PROTACs are heterobifunctional small molecules that can bind to both the protein of interest (POI) and the E3 ubiquitin ligase (E3), inducing ubiquitinated degradation of POI. The unique mechanisms of PROTACs, such as event-driven pharmacology and modulation of protein degradation, provide novel therapeutic modalities for various diseases, including oncology, antiviral therapies, neurodegenerative diseases, acne, and others. Numerous computational methods, including structural prediction, molecular generation, and molecular dynamics simulation, have been applied in the development of PROTAC molecules. This review introduces the fundamental principles of computational tools used in PROTAC design, as well as typical examples validated by experiments.

Indexed as

ProteinsSmall Molecule LibrariesUbiquitin-Protein LigasesHumansMolecular Dynamics SimulationProteolysisProteinsSmall Molecule LibrariesUbiquitin-Protein Ligasesartificial intelligence.molecular dockingmolecular dynamics simulationPROTACprotein degradation

Identifiers

PMID40176689

What OpenQuestion holds

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.