Computational design, synthesis and biological evaluation of novel pyridinone derivatives as NNRTIs.

Niloofar Movahednia, Ali Ramazani, Afshin Fassihi, Pouria Shirvani, Dominique Schols

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Article in Scientific reports, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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4 · The record

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5 · Who and what money

Authors and funding

5 authors.

Niloofar MovahedniaThe Organic Chemistry Research Laboratory (OCRL), Department of Chemistry, Faculty of Science, University of Zanjan, Zanjan, 45371-38791, Iran.

Ali RamazaniThe Organic Chemistry Research Laboratory (OCRL), Department of Chemistry, Faculty of Science, University of Zanjan, Zanjan, 45371-38791, Iran. aliramazani@znu.ac.ir.

Afshin FassihiDepartment of Medicinal Chemistry, School of Pharmacy and Pharmaceutical Science, Isfahan University of Medical Science, Hezar Jerib, Isfahan, 817416 -73461, Iran.

Pouria ShirvaniDepartment of Chemical Technologies, Iranian Research Organization for Science and Technology (IROST), Tehran, Iran. p.shirvani@irost.ir.

Dominique ScholsDepartment of Microbiology, Immunology and Transplantation, Structural and Translational Virology Research Group, KU Leuven, Rega Institute for Medical Research, Molecular, Leuven, B-3000, Belgium.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The emergence of resistance against first-generation non-nucleoside reverse transcriptase inhibitors (NNRTIs) necessitates the development of novel scaffolds with improved antiviral efficacy. In this study, a series of pyridinone derivatives were designed and synthesized as potential NNRTIs. The antiviral evaluation against wild-type HIV-1 in MT-4 cells revealed that most of the compounds displayed limited or no activity, often accompanied by cytotoxic effects. However, two derivatives, 4e and 4i, demonstrated remarkable inhibition of HIV-1 replication, with 4i exhibiting low-nanomolar potency against HIV-1 (EC

Indexed as

Anti-HIV AgentsDrug DesignHIV-1HIV Reverse TranscriptasePyridonesReverse Transcriptase InhibitorsCell LineHumansHydrogen BondingMolecular Docking SimulationMolecular Dynamics SimulationStructure-Activity RelationshipVirus ReplicationAnti-HIV AgentsHIV Reverse TranscriptasePyridonesReverse Transcriptase InhibitorsAnti-HIV-1 activityNNRTIPyridinone derivativesReverse transcriptase

Identifiers

PMID42177238

DOI10.1038/s41598-026-52348-3

PMCPMC13534616

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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.