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Molecular Diversity|October 31, 2024
A potent dual inhibitor targeting COX-2 and HDAC of acute myeloid leukemia cellsXiang Qin, Xueting Wang, Chunmei Yang, et al.
Molecular Diversity|October 19, 2024
AI-DPAPT: a machine learning framework for predicting PROTAC activityAmr S Abouzied, Bahaa Alshammari, Hayam Kari, et al.
Molecular Diversity|September 23, 2024
Synthesis, spectroscopic characterization, DFT calculations, in silico-ADMET and molecular docking analysis of novel quinoline-substituted 5H-chromeno [2,3-b] pyridine derivatives as antibacterial agentsRajesh Kancherla, T N Lohith, Sushma Deshmukh, et al.
Molecular Diversity|September 20, 2024
Microwave-assisted protocol towards synthesis of heterocyclic molecules: a comparative analysis with conventional synthetic methodologies (years 2019-2023): a reviewIffat Almas, Ayesha Malik, Nasir Rasool, et al.
Molecular Diversity|September 19, 2024
Stereo-selectivity of enantiomeric inhibitors to ubiquitin-specific protease 7 (USP7) dissected by molecular docking, molecular dynamics simulations, and binding free energy calculationsYusheng Zhang, Wenwen Dou, Ziqi Zhao, et al.
Molecular Diversity|September 26, 2024
Design, synthesis, and nematicidal activity of novel 1,2,4-oxadiazole derivatives containing amide fragmentsYuqin Ou, Xue Guo, Qi Zhang, et al.
Molecular Diversity|August 3, 2024
MolGC: molecular geometry comparator algorithm for bond length mean absolute error computation on moleculesJavier Camarillo-Cisneros, Graciela Ramirez-Alonso, Carlos Arzate-Quintana, et al.
Molecular Diversity|July 26, 2024
From antibiotic to antiviral: computational screening reveals a multi-targeting antibiotic from Streptomyces spp. against Nipah virus fusion proteinsNyzar Mabeth O Odchimar, Mark Andrian B Macalalad, Fredmoore L Orosco
Molecular Diversity|May 14, 2025
Discovery and optimization of novel indolecarboxylic acid derivative as potent glucagon-like peptide‑1 receptor agonistsWanting Zhao, Yuqian Yin, Zhuo Shi, et al.
Molecular Diversity|May 13, 2025
Enhancing PI3Kγ inhibitor discovery: a machine learning-based virtual screening approach integrating pharmacophores, docking, and molecular descriptorsLei Jia, Lei Xu, Yanfei Cai, et al.
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