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Drug interactions

Identification of polyphenols as novel neuropilin-1 cendR pocket inhibitors to block SARS-CoV-2 entry and enhance variant resistance

Farid Ataya, Abir Alamro, Amani Alghamdi, Dalia Fouad

Multitarget docking and molecular enumeration reveal DdpMPyPEPhU as a potent modulator of cell cycle, glucocorticoid, and estrogen signalling in breast cancer

Shaban Ahmad, Sahar Qazi, [ ... ], Khalid Raza

Quantitative profiling of lifespan-dependent cell-cell communication potential reveals dynamic ligand-receptor network shifts across mouse tissues

Boyong Wei, Evan P. Troendle, David A. Simpson, Alan W. Stitt

A virtual screening and molecular dynamics approach in search of novel antibiotic chemotypes

Tahira Noor, Daniel C. Schultz, [ ... ], Abdul Rauf Siddiqi

Mutual solubilization of rosiglitazone and ibuprofen: Investigation and mechanistic insight

Yaxiang Gong, Wenqi Liu

Development, system design, safety, and performance metrics of a conversational agent for reducing depressive and anxious symptoms based on a large language model: The MHAI study

David Villarreal-Zegarra, Yscenia Paredes-Gonzales, [ ... ], Yan Pieer Alexis-Montalban Lozada

Helping primary care providers recognize and respond to medication non-adherence and drug-drug interactions: A randomized-controlled clinical utility trial in a value-based care setting

Trever Burgon, David Paculdo, [ ... ], John W. Peabody

Phytochemical profiling of Vitex negundo seeds via UHPLC-QTOF-MS/MS analyses with antimicrobial evaluation and in silico targeting of DNA Gyrase B and Secreted Aspartic Proteinase 2 (SAP2)

Javed Mustafa, Tuba Ashraf, [ ... ], Muhammad Yunis

Exploring potential phytocompounds from black cumin as drug molecules against SARS-CoV-2 infections through bioinformatics analysis

Md. Ahad Ali, Humaira Sheikh, [ ... ], Md. Nurul Haque Mollah

Changes in U.S. medical school conflict of interest policies from 2014 to 2023

Shamik Bhat, Devika A. Shenoy, [ ... ], Timothy S. Anderson

MoGraphDRP: Multi-omics and graph fusion with bilinear attention for predicting drug sensitivity

Zahra Ahmadi, Jamshid Pirgazi, Ali Ghanbari Sorkhi

Computational modeling for rational design of novel phenoxy tacrine derivatives targeting Alzheimer’s disease

Mohamed El Fadili, Mohammed Er-rajy, [ ... ], Menana Elhallaoui

MLGT: A multimodal graph attention network for virtual screening of anti—Uveitis drugs

Yu Sun, Yihang Qin, Wenhao Chen

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