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Molecular Diversity|August 13, 2025
Design, synthesis and SARS-CoV‑2 main protease inhibitory activities of 2-arylthiomethyl-6-bromoindole derivativesZong Xinyu, Li Xiaoyang, Liu Shiyu, et al.
Molecular Diversity|November 12, 2025
LKE-DTA: predicting drug-target binding affinity with large language model representations and knowledge graph embeddingsJielong Mou, Yudong Yan, Boren Jiang, et al.
Molecular Diversity|November 12, 2025
A potent and selective PROTAC degrader of CDK9 as effective inhibitor of HIV-1 RNA synthesisBo Yang, Ling Ma, Xiaotang Yang, et al.
Molecular Diversity|October 23, 2025
Novel 1,2,4-oxadiazole derivatives containing a sulfone moiety: Design, synthesis, biological activity, and antivirulence factorsZongnan Zhu, Xing Liu, Yue Zou, et al.
Molecular Diversity|July 19, 2025
An innovative machine learning-based QSAR approach for prediction and structural analysis of novel/repurposed acid ceramidase (ASAH1) inhibitors for glioblastoma therapyHarshit Sajal, Seema Mishra
Molecular Diversity|July 19, 2025
Design, synthesis, and biological evaluation of aminopyrazine-based ATR/HDACs dual inhibitorsYing-Hui Yuan, Chen-Chen Wang, Ji-Long Duan, et al.
Molecular Diversity|July 27, 2025
A comprehensive review of neural network-based approaches for drug-target interaction predictionFatemeh Panahandeh, Najme Mansouri
Molecular Diversity|July 9, 2025
Exploring graph-based models for predicting active compounds against triple-negative breast cancerHridoy Jyoti Mahanta, Amarjeet Boruah, Bikram Phukan, et al.
Molecular Diversity|July 13, 2025
Synthesis and multi-target evaluation of 2-(2-phenylethyl)/2,3-styrylchromone derivatives as potential anti-Alzheimer's disease agentsJiaHao Lu, YingQI Qiu, ChenHao Zhao, et al.
Molecular Diversity|July 3, 2025
Design strategies, structural insights, and biological potential of amyloid-beta inhibitors in Alzheimer's diseaseMridul Guleria, Arprita Malhan, Ghanshyam Teli, et al.
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