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Molecular Diversity|May 27, 2026
Identification of an SFRP1 inhibitor as a potential therapeutic strategy for cancers using dry-wet combined drug discovery strategyYunlong Zhang, Ruiqi Wei, Meihong Pan, et al.
Molecular Diversity|May 27, 2026
Identification of Closantel as a small-molecule inhibitor of the compact CRISPR-Cas RNA editor Cas13bt3Xulong Chen, Binbin Zhan, Ruyi Shi, et al.
Molecular Diversity|April 26, 2026
Rational scaffold discovery for HIV-1 reverse transcriptase inhibitors via integrated in silico approachesAakanksha Kunwar, Arzoo Rai, Suruchi Bhambri, et al.
Molecular Diversity|May 5, 2026
Chemistry, pharmacology and spotlight on the clinical trials of remibrutinib: a first in class, oral Bruton's tyrosine kinase (BTK) inhibitor for chronic spontaneous urticariaShah Alam Khan, Abdul Qadir, Aqsa Khan, et al.
Molecular Diversity|May 5, 2026
Integrated in vitro and in silico evaluation of rutin as a potential modulator of wound healing pathwaysGhanshyam Parmar, Jay Mukesh Chudasama, Ashish Shah, et al.
Molecular Diversity|May 8, 2026
Structural insights into TNF-α inhibition by bioactive compounds found in plants of North East India: in vitro validation and in silico investigations using QSAR, molecular docking, and dynamics simulationsSarbani Dey Ray, Supratim Ray, Bibhas Pandit, et al.
Molecular Diversity|May 12, 2026
Design, synthesis, biological activity and in silico evaluation of phenylthiazole derivatives as multifunctional skin-whitening agentsYang Xu, Xuhui Liang, Chang-Gu Hyun
Molecular Diversity|May 12, 2026
Integrating network toxicology with multi-omics approaches to elucidate molecular targets and pathway mechanisms in BPA-induced hepatocellular carcinomaFuling Zeng, Fuyan Lai, Jiaxin Zeng
Molecular Diversity|May 3, 2026
Deep learning architectures achieve state-of-the-art (SOTA) accuracy in protein secondary structure predictionZahra Nikfarjam, Majid Jafari, Farshid Zargari
Molecular Diversity|May 3, 2026
Improving aptamer binding affinity for HN protein of newcastle disease virus: molecular dynamics simulations and MM/GBSA calculations studiesShuang Jiang, Xu Wen, Xiaoling Zheng, et al.
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