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Molecular Diversity|October 18, 2024
Computational screening of umami tastants using deep learningPrantar Dutta, Kishore Gajula, Nitu Verma, et al.
Molecular Diversity|October 9, 2024
Taiwan Chingguan Yihau may improve post-COVID-19 respiratory complications through PI3K/AKT, HIF-1, and TNF signaling pathways revealed by network pharmacology analysisDung Tam Nguyen Huynh, Hien Thi Nguyen, Chien-Ming Hsieh
Molecular Diversity|August 17, 2024
Chemical analogue based drug design for cancer treatment targeting PI3K: integrating machine learning and molecular modelingMohammed A Bazuhair, Anwar A Alghamdi, Othman Baothman, et al.
Molecular Diversity|August 17, 2024
(-)-Epicatechin metabolites as a GPER ligands: a theoretical perspectiveRodolfo Daniel Ávila-Avilés, Erick Bahena-Culhuac, J Manuel Hernández-Hernández
Molecular Diversity|August 16, 2024
Identification of mycobacterial Thymidylate kinase inhibitors: a comprehensive pharmacophore, machine learning, molecular docking, and molecular dynamics simulation studiesRupesh V Chikhale, Surbhi Pravin Pawar, Mahima Sudhir Kolpe, et al.
Molecular Diversity|August 21, 2024
One pot multi-component synthesis of novel functionalized pyrazolo furan-2(5H)-one derivatives: in vitro, DFT, molecular docking, and pharmacophore studies, as coronavirus inhibitorsDoaa M Elsisi, Ashraf M Mohamed, Mohamed G Seadawy, et al.
Molecular Diversity|August 14, 2024
Computational drug repositioning for IL6 triggered JAK3 in rheumatoid arthritis using FDA databaseKaushani Banerjee, Bavya Chandrasekar, Sruthy Sathish, et al.
Molecular Diversity|August 14, 2024
Novel sulfonyl hydrazide based β-carboline derivatives as potential α-glucosidase inhibitors: design, synthesis, and biological evaluationJinping Sun, Di Xiao, Ming Lang, et al.
Molecular Diversity|July 31, 2024
Scaffolds imparting anthelmintic activity: recent advancements and SAR studiesPawan Kumar, Rohit Bhatia, Naresh Kumar Rangra
Molecular Diversity|August 5, 2024
Recent developments in the design of functional derivatives of edaravone and exploration of their antioxidant activitiesR Divya Mohan, Naveen V Kulkarni
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