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Molecular Diversity|March 12, 2026
2-Quinolone-1,2,3-triazole-benzofuran-N-acylhydrazone hybrids as antiviral and antimicrobial agents: synthesis, in vitro screening and molecular modelingKhadija El Gadali, Meriem Rafya, Az-Eddine El Mansouri, et al.
Molecular Diversity|March 30, 2024
MLASM: Machine learning based prediction of anticancer small moleculesPriya Dharshini Balaji, Subathra Selvam, Honglae Sohn, et al.
Molecular Diversity|March 24, 2024
Exploring host epigenetic enzymes as targeted therapies for visceral leishmaniasis: in silico design and in vitro efficacy of KDM6B and ASH1L inhibitorsMukul Dutta, Tooba Qamar, Unnati Kushavah, et al.
Molecular Diversity|March 22, 2024
Identification of novel potential cathepsin-B inhibitors through pharmacophore-based virtual screening, molecular docking, and dynamics simulation studies for the treatment of Alzheimer's diseaseJatin Jangra, Nilesh Gajanan Bajad, Ravi Singh, et al.
Molecular Diversity|February 19, 2024
Investigation of bacterial DNA gyrase Inhibitor classification models and structural requirements utilizing multiple machine learning methodsGuozheng Zhou, Yan Li
Molecular Diversity|February 25, 2024
Green synthesis and investigation of antioxidant and antibacterial activity of new derivatives of chromenoazepines employing CuO/TiO2@MWCNTsLeila Hasani, Elham Ezzatzadeh, Zinatossadat Hossaini
Molecular Diversity|March 8, 2024
Screening inhibitors against the Ef-Tu of Fusobacterium nucleatum: a docking, ADMET and PBPK assessment studyAhmad Alzamami, Norah A Alturki, Kanwal Khan, et al.
Molecular Diversity|August 2, 2023
Cheminformatics and machine learning approaches for repurposing anti-viral compounds against monkeypox virus thymidylate kinaseAli A Rabaan, Ameen S S Alwashmi, Mutaib M Mashraqi, et al.
Molecular Diversity|August 7, 2023
Identification of potent anti-immunogenic agents through virtual screening, 3D-QSAR studies, and in vitro experimentsMamona Mushtaq, Saman Usmani, Almas Jabeen, et al.
Molecular Diversity|July 24, 2023
Exploration of the molecular mechanism of tea polyphenols against pulmonary hypertension by integrative approach of network pharmacology, molecular docking, and experimental verificationHuan Yang, Jun Cao, Jian-Min Li, et al.
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