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Molecular Diversity|April 2, 2025
Integrating deep learning and molecular dynamics simulations for FXR antagonist discoveryYueying Yang, Yuxin Huang, Hanxiao Shen, et al.
Molecular Diversity|April 22, 2025
Rational design of structurally rigidified ketone-peptide deformylase inhibitors with enhanced membrane permeability for combating gram-negative bacterial infectionsZhonghui Zhang, Jidi Hu, Maoqing Shi, et al.
Molecular Diversity|April 19, 2025
PPI networking, in-vitro expression analysis, virtual screening, DFT, and molecular dynamics for identifying natural TNF-α inhibitors for rheumatoid arthritisYogaswaran Velmurugan, Nandhini Chakkarapani, Sathan Raj Natarajan, et al.
Molecular Diversity|March 17, 2025
Probing the dark chemical matter against PDE4 for the management of psoriasis using in silico, in vitro and in vivo approachB Swapna, Satvik Kotha, Divakar Selvaraj, et al.
Molecular Diversity|March 13, 2025
An update on current type 2 diabetes mellitus (T2DM) druggable targets and drugs targeting themPrerna Uniyal, Surbhi Panwar, Akanksha Bhatt, et al.
Molecular Diversity|March 13, 2025
Multiple pyrazolylazoindole/indazole scaffold based visible-light photoswitches with versatile controlled photophysical propertiesHaoran Hu, Siyi Wei, Chong Zhang, et al.
Molecular Diversity|March 18, 2025
Recent progress and structural insights of potential Hsp90 inhibitors as anticancer agentsAastha Singh, Subhadip Maity, Priya Devi, et al.
Molecular Diversity|March 18, 2025
Drug repositioning as a promising approach for the eradication of emerging and re-emerging viral agentsMarwa Almulhim, Abdolmajid Ghasemian, Mojtaba Memariani, et al.
Molecular Diversity|March 14, 2025
Integrated virtual screening and compound generation targeting H275Y mutation in the neuraminidase gene of oseltamivir-resistant influenza strainsWajihul Hasan Khan, Nida Khan, Manoj Kumar Tembhre, et al.
Molecular Diversity|March 14, 2025
New pyrazole-based derivatives targeting MmpL3 transporter in Mycobacterium tuberculosis: design, synthesis, biological evaluation and molecular docking studiesSarvan Maddipatla, Puja Kumari Agnivesh, Bulti Bakchi, et al.
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