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Molecular Diversity|June 24, 2025
Integrative transcriptomic and structural analysis identifies PTGS2 as a key target in ischemic stroke associated with neuroinflammationSaleh I Alaqel, Abida Khan, Mashael N Alanazi, et al.
Molecular Diversity|April 10, 2025
In vitro larvicidal activity of selected azabenzimidazole and diarylquinoline derivatives against Anopheles gambiae and in silico mechanistic analysisKola A Oluwafemi, Anthony F Adeforiti, Oluwatoba E Oyeneyin, et al.
Molecular Diversity|April 16, 2025
Identification of low-toxicity DNA topoisomerase I inhibitors with potential blood-brain barrier penetrability for glioblastoma therapy: structure-based virtual screening reveals promising novel ScaffoldsYa-Lin Li, Jun Mao, Zhong Cheng, et al.
Molecular Diversity|April 2, 2025
Searching potential GSK-3β inhibitors from marine sources using atomistic simulationsTran Thi Hoai Van, Minh Quan Pham, Truong Thi Thu Huong, et al.
Molecular Diversity|May 13, 2025
From pharmacophore predictions to pharmaceutical possibilities: an integrated approach to screen M3 selective muscarinic receptor antagonistSirat K Gill, Swati Kumari, Bichitra K Biswal, et al.
Molecular Diversity|May 13, 2025
Identifying potent inhibitors for Mycobacterium tuberculosis MabA (FabG1)Debashis Panda, Jitendra Maharana, Arjun Sharma, et al.
Molecular Diversity|May 21, 2025
Discovery of novel potential 11β-HSD1 inhibitors through combining deep learning, molecular modeling, and bio-evaluationXiaodie Chen, Liang Zou, Lu Zhang, et al.
Molecular Diversity|April 23, 2025
Titania: an integrated tool for in silico molecular property prediction and NAM-based modelingNikoletta-Maria Koutroumpa, Maria Antoniou, Dimitra-Danai Varsou, et al.
Molecular Diversity|May 3, 2025
Unleashing the potential of traditional Chinese medicine: a computational approach to discovering drug targets utilizing the CSLN and molecular dynamicsQi Geng, Pengcheng Zhao, Zhiwen Cao, et al.
Molecular Diversity|April 19, 2025
Computer-aided ligand identification of capsaicinoids and their potential functions in metabolic diseasesAna Alondra Sobrevilla-Navarro, Omar Ramos-Lopez, Bertha Landeros-Sánchez, et al.
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