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Molecular Diversity|September 11, 2023
Diversity-oriented synthesis of 1H-1,2,3-triazole tethered pyrazolo[5,1-b]quinazoline hybrids as antimicrobial agentsDipakkumar D Chudasama, Manan S Patel, Jaydeepkumar N Parekh, et al.
Molecular Diversity|June 20, 2023
Identification of potential inhibitors of cholinergic and β-secretase enzymes from phytochemicals derived from Gongronema latifolium Benth leaf: an integrated computational analysisGideon Ampoma Gyebi, Oludare M Ogunyemi, Ibrahim M Ibrahim, et al.
Molecular Diversity|June 21, 2023
Design and synthesis of pyrrolo[2,3-d]pyrimidine linked hybrids as α-amylase inhibitors: molecular docking, MD simulation, ADMET and antidiabetic screeningAjayrajsinh R Zala, Ramgopal Tiwari, Hem N Naik, et al.
Molecular Diversity|June 23, 2023
Identification of phytochemical inhibitors targeting phosphate acetyltransferase of Mycoplasma genitalium: insights from virtual screening and molecular dynamics studiesKrishnendu Barik, Praffulla Kumar Arya, Ajay Kumar Singh, et al.
Molecular Diversity|June 19, 2023
Regioselective synthesis and molecular docking studies of functionalized imidazo [1,2-a]pyridine derivatives through MCRsMaruti B Yadav, Pooja Singh, Yeon Tae Jeong
Molecular Diversity|June 23, 2023
Extraction, isolation, synthesis, and biological evaluation of novel piperic acid derivatives for the treatment of Alzheimer's diseaseJitendra Kumar, Gauri Shankar, Sunil Kumar, et al.
Molecular Diversity|June 29, 2023
Identification of Mulberrofuran as a potent inhibitor of hepatitis A virus 3Cpro and RdRP enzymes through structure-based virtual screening, dynamics simulation, and DFT studiesMuthusamy Sureshan, Sathishkumar Brintha, Arunachalam Jothi
Molecular Diversity|July 1, 2023
A computational study to identify Sesamol derivatives as NRF2 activator for protection against drug-induced liver injury (DILI)Ajay Mili, Sumit Birangal, Krishnadas Nandakumar, et al.
Molecular Diversity|March 4, 2026
Integrating ensemble machine-learning and fibril docking to discover potent, novel triazole-naphthalene tau-aggregation inhibitorsPoulami Saha, Anuja Chouhan
Molecular Diversity|March 12, 2026
Multi-omics investigation of benzo[a]pyrene in gastric cancer: comprehensive network toxicology, machine learning and molecular docking approachesChunhong Li, Xin Zeng, Yuhua Mao, et al.
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