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Molecular Diversity|February 7, 2023
Design and synthesis of some novel hybrid molecules based on 4-thiazolidinone bearing pyridine-pyrazole scaffolds: molecular docking and molecular dynamics simulations of its major constituent onto DNA gyrase inhibitionNisheeth C Desai, Dharmpalsinh J Jadeja, Aratiba M Jethawa, et al.
Molecular Diversity|November 20, 2025
Identifying antivirals against influenza PA endonuclease with machine learning-based activity prediction, DFT optimization, and molecular dynamics simulationTareq Nafea Alharby, Muteb Alanazi, Kashif Ullah Khan, et al.
Molecular Diversity|November 25, 2025
Computational identification of Cucurbitacin S and Kammogenin as bioactive focal adhesion kinase 2 inhibitors for targeted cancer therapySalem Hussain Alharethi, Fatma A M Mohamed, Saleha Y M Alakilli, et al.
Molecular Diversity|November 25, 2025
In silico identification of novel alpha/beta hydrolase fold domain-containing protein associated with virulence and antibiotic resistance in Nocardia farcinica (Strain: JJSBBCNF_01)Shaslinah Nathar, Hemavathy Nagarajan, Bhuvaneswari Narthanareeswaran, et al.
Molecular Diversity|November 21, 2025
Nitroquinolones and nitroquinolines: syntheses and antitrypanosomal activityPhelelisiwe S Dube, Karol R Francisco, Lesetja J Legoabe, et al.
Molecular Diversity|November 21, 2025
Recent advances in adamantane-linked heterocycles: synthesis and biological activityMohamed H Helal, Moustafa S Abusaif, Ahmed Ragab, et al.
Molecular Diversity|November 23, 2025
Generating multimillion chemical space based on the Ugi four-center three-component reaction with oxocarboxylic acidsEvgen V Govor, Sofia Dymura, Oleksandr Viniichuk, et al.
Molecular Diversity|November 23, 2025
PDT evaluation of gallium based 3G photosensitizers against triple negative breast cancerJaydeepsinh Chavda, Dhiraj Bhatia, Iti Gupta
Molecular Diversity|November 15, 2025
Exploration of novel β-lactamase inhibitors against Klebsiella pneumoniae using fragment-based drug discovery approachAbhirami Krishnamoorthy Sundaresan, Muthusamy Sureshan, Arunachalam Jothi, et al.
Molecular Diversity|January 14, 2026
Capsule enclosed coordinate attention based dual batch depthwise convolutional knowledge distillation model for drug-drug interaction predictionSoni Sharmila Kadimi, S Thanga Revathi, Pokkuluri Kiran Sree
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