In-silico-based lead optimization of hit compounds targeting mitotic kinesin Eg5 for cancer management

2025/01/07 by Damilola S. Bodun, Damilola A. Omoboyowa, Victor F. Olofinlade +6 · 1 voice · 1 citation
Biochemistry, Genetics and Molecular Biology · Computer Science · #Computational Drug Discovery Methods #Microtubule and mitosis dynamics #Protein Degradation and Inhibitors

paper · doi:10.1007/s40203-024-00300-6

crossref issued 2025/01/07 · crossref published 2025/01/07 · crossref published-online 2025/01/07 · openalex publication_date 2025/01/07 · crossref created 2025/01/07 · crossref deposited 2025/01/07 · openalex created_date 2025/10/10 · crossref indexed 2026/04/28 · openalex updated_date 2026/07/23

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• HPLC characterization, molecular docking, QSAR and molecular dynamics simulation of Alstonia boonei phytochemical analogs as potent 5-alpha reductase inhibitors

Discussions

• New Publication! We contributed to a study on in-silico lead optimization of Human Eg5 inhibitors for cancer research. AlvaBuilder was used to generate and optimize novel analogs. 🔗 Read the full [bsky, 1 points, 0 comments]