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Molecular Diversity|August 22, 2026
Design, synthesis and biological evaluation of quinazoline-carbazole derivatives as dual TXNIP/DYRK1A inhibitors for the treatment of type 2 diabetes mellitusLi Guan, Wanzhen Su, Zhu Mi, et al.Molecular Diversity|August 20, 2026
SCAD-DTA: spherical concept alignment with dynamic multi-modal fusion for drug-target affinity predictionZhensong Wang, Weiliang Han, Ge Kong, et al.Molecular Diversity|August 20, 2026
Cloud-based ligand-guided virtual screening with deep-learning-enhanced docking identifies a micromolar CXCR4 antagonistNonthaneth Nalinratana, Monsin Sangsawat, Kian Chee Chong, et al.Molecular Diversity|September 9, 2026
Hot spot-driven discovery of β-catenin/Tcf4 interaction inhibitors via virtual drug repurposing study and experimental validation in colorectal cancer cellsKader Sahin, Ajda Coker, Serdar DurdağıMolecular Diversity|September 9, 2026
Molecular-networking-based characterization of cytotoxic metabolites produced by the cyanobacterium Nostoc edaphicum CCNP1411Robert Konkel, Marta Cegłowska, Łukasz Grabowski, et al.Molecular Diversity|September 9, 2026
Computational discovery of novel human rhinovirus 3 C protease inhibitors: molecular docking, dynamic simulations, free energy landscape, MMPBSA and ADMET analysisHafs Essaadi, Abdelfateh Chourir, Jouhaina Kourou, et al.Molecular Diversity|September 25, 2026
Evaluation of toll-like receptor inhibition by novel thymoquinone analogues as potential remedy for diabetic nephropathyNashwa H Zaher, Reham M M El-Hazek, Mohamed I MostafaMolecular Diversity|September 23, 2026
Discovery of a new SARS-CoV-2 Mpro inhibitor from a natural product and natural product-like compound database using in silico and in vitro studiesSudesna Das, Uttam Pal, Yasmin Begum, et al.Molecular Diversity|August 29, 2002
Mining combinatorial data in protein sequences and structuresS G JacchieriMolecular Diversity|March 15, 2021
Dimroth rearrangement-based synthesis of novel derivatives of [1,3]selenazolo[5,4-e][1,2,4]triazolo[1,5-c]pyrimidine as a new class of selenium-containing heterocyclic architectureSeddigheh Sheikhi-Mohammareh, Ali Shiri, Joel MaguePageof 290