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Molecular Diversity|June 4, 2026
In silico discovery of natural compounds from Vietnamese essential oils database with target binding to cancer-related proteinsThang Truong Le, Chau Dao Minh Huynh, Nam Hoang Phan, et al.
Molecular Diversity|June 4, 2026
Structural disruption of VKORC1 by resistance mutations reveals a conserved hydrophobic pattern essential for warfarin binding: insights from molecular dynamics analysesNolan Chatron, Sionfoungo Daouda Soro, Etienne Benoit, et al.
Molecular Diversity|May 19, 2026
Design, synthesis, anticancer estimation, and computational studies of novel benzochromenoimidazopyrimidines as CDK-2 inhibitors and apoptosis stimulatorsFatma G Abdulrahman, Marwa T Sarg, Yasmin S Sheta, et al.
Molecular Diversity|May 3, 2026
Design, synthesis, in silico and in vitro anti-breast cancer evaluation of novel indole-isoxazole/isoxazoline hybrids as ERα inhibitorsAgnidipta Das, Vishakha, Tushar Midha, et al.
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.
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