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Molecular Diversity|October 11, 2022
Exploration of NMI-MsCl mediated amide bond formation for the synthesis of novel 3,5-substituted-1,2,4-oxadiazole derivatives: synthesis, evaluation of anti-inflammatory activity and molecular docking studiesB Kulkarni, K Manjunatha, Muthipeedika Nibin Joy, et al.
Molecular Diversity|November 4, 2022
In silico identification of potential inhibitors of vital monkeypox virus proteins from FDA approved drugsAjaya Kumar Sahoo, Priya Dharshini Augusthian, Ishwarya Muralitharan, et al.
Molecular Diversity|November 4, 2022
Can machine learning 'transform' peptides/peptidomimetics into small molecules? A case study with ghrelin receptor ligandsWenjie Liu, Austin M Hopkins, Peizhi Yan, et al.
Molecular Diversity|November 4, 2022
Novel 1,2,4-triazoles derived from Ibuprofen: synthesis and in vitro evaluation of their mPGES-1 inhibitory and antiproliferative activityBahadır Bülbül, Kai Ding, Chang-Guo Zhan, et al.
Molecular Diversity|January 21, 2024
Discovery of Palbociclib as a potent c-Myc G4 stabilizer for lung cancer treatment using molecular docking, molecular dynamics simulation, and in vitro activity evaluationJian Gao, Chao Liang, Jiacheng Yin, et al.
Molecular Diversity|January 11, 2024
Comprehensive computational investigation for ligand recognition and binding dynamics of SdiA: a degenerate LuxR -type receptor in Klebsiella pneumoniaeJanki Panchal, Jignesh Prajapati, Milan Dabhi, et al.
Molecular Diversity|January 16, 2024
Network-based drug repurposing identifies small molecule drugs as immune checkpoint inhibitors for endometrial cancerFaheem Ahmed, Anupama Samantasinghar, Wajid Ali, et al.
Molecular Diversity|January 18, 2024
Review on advancements of pyranopyrazole: synthetic routes and their medicinal applicationsAshok R Yadav, Ashishkumar P Katariya, Anant B Kanagare, et al.
Molecular Diversity|December 27, 2023
Deep learning algorithms applied to computational chemistryAbimael Guzman-Pando, Graciela Ramirez-Alonso, Carlos Arzate-Quintana, et al.
Molecular Diversity|March 12, 2024
In-silico identification and exploration of small molecule coumarin-1,2,3-triazole hybrids as potential EGFR inhibitors for targeting lung cancerSunil Kumar, Iqra Ali, Faheem Abbas, et al.
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