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September 10, 2025World Journal of Biology Pharmacy and Health Sciences

Structure-Based Molecular Docking and ADME Profiling of Novel Thienopyrimidines as Dual VEGFR/EGFR Inhibitors in Colorectal Cancer

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Authors

APAruna PriyaSNShachindra L. NargundMNMahesh Kumar N

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Overview

Computational evaluation reveals novel thienopyrimidines targeting VEGFR and EGFR, indicating dual inhibition potential.

Key Points

  • Molecular docking simulations identified thienopyrimidine compounds with high binding affinities to VEGFR and EGFR.
  • Compounds PAS1 and PAS9 demonstrated binding affinities of -8.7 and -8.6 kcal/mol, outperforming the reference drug.
  • Pharmacokinetic profiling showed most compounds comply with Lipinski's rule, indicating favorable absorption and bioavailability.
  • Thienopyrimidine scaffolds show promise as dual inhibitors, supporting further development as targeted therapies for colorectal cancer.

Cite This Study

Priya et al. (2025) studied this question.

synapsesocial.com/papers/68c23f63b210217d64796995https://doi.org/10.30574/wjbphs.2025.23.1.0716
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