ArticleFrontiers in pharmacology2022
Novel 1,2,3-Triazole Erlotinib Derivatives as Potent IDO1 Inhibitors: Design, Drug-Target Interactions Prediction, Synthesis, Biological Evaluation, Molecular Docking and ADME Properties Studies.
Article in Frontiers in pharmacology, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers, 1 of them a synthesis that pooled it.
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Who cites it
11 citing papers in PubMed, 1 synthesis or guideline pooled it, 20 citations in OpenAlex.
- Design of new drugs for medullary thyroid carcinoma.Frontiers in oncology · 2022Pooled it
- Molecular insights into triazole-based compounds for triple-negative breast cancer treatment.Journal of enzyme inhibition and medicinal chemistry · 2026Review
- Design, click-based synthesis, molecular docking, molecular dynamics and anticancer activity of new isoindoline-1,3-dione- triazole-glycopyranosyl hybrids.Scientific reports · 2026Article
- Integrating artificial intelligence into small molecule development for precision cancer immunomodulation therapy.npj drug discovery · 2025Review
- Neuroprotective effects of chemical constituents from Nicotiana tabacum L. in Parkinson's disease.Natural products and bioprospecting · 2025Article
- New benzimidazole-triazole glycoconjugates as anti-cancer agents and EGFR inhibitors.Scientific reports · 2025Article
- Rational design of indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors featuring 1,2,3-triazole derivatives with enhanced anti-inflammatory and analgesic efficacy.Frontiers in pharmacology · 2025Article
- Discovery of gefitinib-1,2,3-triazole derivatives against lung cancer via inducing apoptosis and inhibiting the colony formation.Scientific reports · 2024Article
- Synthesis and In Vitro Antitumor Activity Evaluation of Gefitinib-1,2,3-Triazole Derivatives.Molecules (Basel, Switzerland) · 2024Article
- Inhibition and eradication ofRSC medicinal chemistry · 2023Article
- Design, synthesis and biological evaluation of erlotinib-based IDO1 inhibitors.Frontiers in pharmacology · 2022Article
Corrections and comments
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Authors and funding
8 authors at 7 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Indoleamine 2,3-dioxygenase 1 (IDO1) plays a predominant role in cancer immunotherapy which catalyzes the initial and rate limiting steps of the kynurenine pathway as a key enzyme. To explore novel IDO1 inhibitors, five derivatives of erlotinib-linked 1,2,3-triazole compounds were designed by using a structure-based drug design strategy. Drug-target interactions (DTI) were predicted by DeePurpose, an easy-to-use deep learning library that contains more than 50 algorithms. The DTI prediction results suggested that the designed molecules have potential inhibitory activities for IDO1. Chemical syntheses and bioassays showed that the compounds exhibited remarkable inhibitory activities against IDO1, among them, compound
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Registered trials
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.