Author

N. Gumede

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Review Open access Aug 2026

Recent Advances in the Design of Inhibitors Targeting the Viral Entry and Replication of the SARS-CoV-2 Virus, Driven by In Silico Approaches

This review examines approved drugs, clinical candidates, and inhibitors under development, along with their bioassay data, while highlighting associated challenges and illustrates how inhibitors bind to active sites, providing insights and emphasizing the importance of in silico studies.

Phumelele Nodola, Patience S. S. Molefe, P. Tseki et al. · Molecules · 0 citations

Open access Jul 2026

Computational design and AI driven discovery of anaplastic lymphoma kinase inhibitors for non small cell lung cancer treatment

Artificial intelligence and computational techniques employed to screen a library of ALK tyrosine kinase inhibitors, retrieved from ChEMBL database, suggest that briga_15 and crizo_35 are promising leads warranting further optimization, synthesis, and biological evaluation.

O. Oyeneyin, N. Ipinloju, N. Gumede · Discover Chemistry · 0 citations