Evidence map›Paper›PMID 41388974›Full record

ArticleArchiv der Pharmazie2025

Support Vector Machine Identification of Small Molecule Binders to an Understudied Allosteric Site of SARS-CoV-2 Mpro for Next-Generation PROTAC-Based Therapeutics.

Enrico Mario Alessandro Fassi, Nedra Mekni, Marco Albani, Sabine Maehrlein, Annabelle Carolin Weldert, Tanja Schirmeister, Thierry Langer, Giovannf Razioso

Erratum issuedAbstract read
In one paragraph

Article in Archiv der Pharmazie, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. Article
4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

8 authors.

Enrico Mario Alessandro FassiDepartment of Pharmaceutical Sciences, Università degli Studi di Milano, Milano, Italy.
Nedra MekniDepartment of Pharmaceutical Sciences, Division of Pharmaceutical Chemistry, University of Vienna, Vienna, Austria.ORCID https://orcid.org/0000-0002-3490-1179
Marco AlbaniDepartment of Pharmaceutical Sciences, Università degli Studi di Milano, Milano, Italy.
Sabine MaehrleinDepartment of Medicinal Chemistry, Institute of Pharmaceutical and Biomedical Sciences, Johannes Gutenberg-University, Mainz, Germany.
Annabelle Carolin WeldertDepartment of Medicinal Chemistry, Institute of Pharmaceutical and Biomedical Sciences, Johannes Gutenberg-University, Mainz, Germany.
Tanja SchirmeisterDepartment of Medicinal Chemistry, Institute of Pharmaceutical and Biomedical Sciences, Johannes Gutenberg-University, Mainz, Germany.
Thierry LangerDepartment of Pharmaceutical Sciences, Division of Pharmaceutical Chemistry, University of Vienna, Vienna, Austria.ORCID https://orcid.org/0000-0002-5242-1240
Giovannf RaziosoDepartment of Pharmaceutical Sciences, Università degli Studi di Milano, Milano, Italy.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The emergence of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has underscored the urgent need for novel antiviral strategies. One of the primary targets of interest is the SARS-CoV-2 main protease (Mpro), which plays a crucial role in viral replication. Building on our prior work involving machine learning (ML)-based virtual screening for potential Mpro inhibitors, we sought to experimentally validate top-ranked candidates. Microscale thermophoresis (MST) was used to assess the binding affinity, leading to the identification of three promising hits from a library of 180 compounds. Notably, one compound demonstrated high-affinity binding to SARS-CoV-2 Mpro (K

Indexed as

Antiviral AgentsCoronavirus 3C ProteasesCOVID-19 Drug TreatmentSARS-CoV-2Small Molecule LibrariesSupport Vector MachineAllosteric SiteHumansMolecular Docking SimulationMolecular Dynamics SimulationProtease Inhibitors3C-like proteinase, SARS-CoV-2Antiviral AgentsCoronavirus 3C ProteasesProtease InhibitorsSmall Molecule Libraries3CL proteasecovid‐19drug designmachine learningMproPROTAC

Identifiers

PMID41388974
PMCPMC12701685

What OpenQuestion holds

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Registered trials

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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.