ArticleFrontiers in molecular biosciences2023
Potent VEGFR-2 inhibitors for resistant breast cancer: a comprehensive 3D-QSAR, ADMET, molecular docking and MMPBSA calculation on triazolopyrazine derivatives.
Article in Frontiers in molecular biosciences, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed, 18 citations in OpenAlex.
- Computational techniques to study breast cancer scaffolds for antiangiogenesis: a review.Journal of molecular modeling · 2026Review
- Current Computational Approaches for the Discovery of Novel Anticancer Agents Targeting VEGFR and SIRT Signaling Pathways.Pharmaceutics · 2026Review
- AI accelerate the identification of druggable targets by 3D structures of proteins and compounds.NPJ precision oncology · 2026Review
- In Silico Development of Novel Quinazoline-Based EGFR Inhibitors via 3D-QSAR, Docking, ADMET, and Molecular Dynamics.International journal of molecular sciences · 2026Article
- Exploring market-approved azoles as potential breast cancer therapeutics targeting the VEGFR-2 biotarget.Scientific reports · 2025Article
- Discovery and validation of pyrrolopyrimidine-based VEGFR2 inhibitors targeting tumor angiogenesis via structure-based virtual screening, quantum chemical analysis, and in vitro assays.Journal of computer-aided molecular design · 2025Article
- Combinatorial QM and MD in silico design of natural product-based DHFR inhibitors.Scientific reports · 2025Article
- Design of New Aromatic Tertiary Amine-based as Butyrylcholinesterase Inhibitors Relying on Molecular Docking, ADME-Tox and Molecular Dynamics.Current computer-aided drug design · 2025Article
- Article
- CADD Methods for Developing Novel Compounds Synthesized to Inhibit Tyrosine Kinase Receptors.Current topics in medicinal chemistry · 2025Review
- Article
- QSAR, ADMET, molecular docking, and dynamics studies of 1,2,4-triazine-3(2H)-one derivatives as tubulin inhibitors for breast cancer therapy.Scientific reports · 2024Article
- Receptor tyrosine kinases in breast cancer treatment: unraveling the potential.American journal of cancer research · 2024Review
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
More people are being diagnosed with resistant breast cancer, increasing the urgency of developing new effective treatments. Several lines of evidence suggest that blocking the kinase activity of VEGFR-2 reduces angiogenesis and slows tumor growth. In this study, we developed novel VEGFR-2 inhibitors based on the triazolopyrazine template by using comparative molecular field analysis (CoMFA) and molecular similarity indices (CoMSIA) models for 3D-QSAR analysis of 23 triazolopyrazine-based compounds against breast cancer cell lines (MCF -7). Both CoMFA (Q
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