Sep 2026· Journal of the Iranian Chemical Society· Vol 23· 0 citations· 49 references
TL;DR
Findings identify glycopentamide B as the most promising CDK4-binding candidate among the investigated compounds and support its further evaluation as a potential anticancer lead.
Structural, conformational, energetic, and pharmacokinetic characterization of dutasteride, danazol, and azelastine as candidate CDK6-binding scaffolds are provided.
Syarifuddin Husain, Ruzianisra Mohamed, Khairul Bariyyah Abd. Halim et al.· Journal of Molecular Graphic...· 0 citations
Overall, MD1-MD5 demonstrated excellent binding, structural stability, and pharmacokinetic properties, making them strong candidates for future CDK2-targeted anticancer research.
Dharmesh A. Patel, Apurva Prajapati, Siddharth S. Patel et al.· Biotechnology and applied bi...· 0 citations
Overall, 5f was computationally prioritized based on its favorable predicted EGFR interactions and sustained association over the investigated simulation timescale, while its physicochemical and pharmacokinetic limitations indicate the need for further structural optimization and experimental validation.
Arleta Rifati-Nixha, Mustafa Arslan, M. Dërmaku-Sopjani et al.· Molecules· 0 citations
Findings validate the diphenylpyrazine scaffold as a promising chemotype for Skp2–Cks1 inhibition and identify C3 as a strong lead for further optimization.
Emadeldin M. Kamel, A. A. Allam, H. Rudayni et al.· Journal of Computer-Aided Mo...· 0 citations
This study aimed to identify novel BRAF V600E inhibitors through an in silico evaluation of the binding affinity and ADMET safety profile of bioactive compounds from 32 Qurʼanic natural product plants, utilizing a structure-based virtual screening of 2,308 compounds.
Evita Sari, G. Nugraha, D. Saputra· JURNAL ILMU KEFARMASIAN INDO...· 0 citations
Investigation of phytoconstituents of Juglans regia derived from IMPPAT database as inhibitors of the Abelson tyrosine kinase, identifies plumbagin as a candidate for c-Abl kinase inhibitor.
Z. Fathima C., J. James, Sindhu T. J. et al.· International Journal of App...· 0 citations
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