Results 211 to 220 of about 119,597,839 (255)

Mechanism‐Informed Language Modeling and Oxygenated 3D Screening Identify Berberine–Enzalutamide Synergy in Prostate Cancer Models

Advanced Science, EarlyView.
By integrating knowledge‐augmented artificial intelligence with an oxygen‐supplemented 3D screening platform, a synergistic interaction between berberine and enzalutamide is identified. The framework integrates compound mechanisms of action with disease‐relevant signaling context to prioritize candidate combinations and generate testable pathway‐based ...
Chih‐Hui Lo, Katie Shi, Lina Kafadarian, Alexandra Bermudez, Johnny Diaz, Liam Edwards, Yunqi Hong, Ziyi Chen, Hyeonji Hwang, Weihong Yan, Alan Levinson, Robert Damoiseaux, Cho‐Jui Hsieh, Tanya Stoyanova, Andrew S. Goldstein, Neil Y.C. Lin   +15 more
wiley   +1 more source

Combinatorial QM and MD in silico design of natural product-based DHFR inhibitors. [PDF]

Sci Rep
Kalhor S, Shapouri AM, Fattahi A.
europepmc   +1 more source

CausalCellInfer: Prioritizing Cell‐Type‐Specific Disease Associations From Genetically Predicted Transcriptomes in Biobank Cohorts

Advanced Science, EarlyView.
Bulk and genotype‐imputed transcriptomes obscure the cellular drivers of complex disease. CausalCellInfer resolves them by integrating invariant marker selection, deep learning deconvolution, and regularized matrix completion. Applied to ∼500 000 UK Biobank participants across 29 traits, it uncovers hallmark cell‐type proportion shifts, including ...
Liangying Yin, Yujia Shi, Ruoyu Zhang, Yong Xiang, Jinghong Qiu, Pak‐Chung Sham, Hon‐Cheong So   +6 more
wiley   +1 more source

In Silico Design and Computational Elucidation of Hypothetical Resveratrol-Curcumin Hybrids as Potential Cancer Pathway Modulators. [PDF]

Pharmaceuticals (Basel)
Sazlı N, Karataş D.
europepmc   +1 more source

A Fluorogenic Cysteine‐Tetrapeptide Tagging Strategy for Nonperturbative Protein Labeling and Protein–Ligand Interaction Tracking

Advanced Science, EarlyView.
A compact Phe‐Cys‐Pro‐Phe (FCPF) tag and an environment‐sensitive SBD‐Cl‐derived probe form a sequence‐selective fluorogenic pair for wash‐free live‐cell protein imaging. This minimally perturbing chemistry allows flexible insertion at termini or loops, produces strong fluorescence upon local microenvironment confinement, supports FRET‐assisted ...
Xiao Wang, Xingcan Pan, Yongling Ying, Ziqian Bai, Jingming Zhang, Zhuang Shao, Jialiang Qian, Hongwei Li, Ning Zhang, Fan Yang, Yuan Liu, Xing Yang   +11 more
wiley   +1 more source

An Oral Antiviral Combination Against Severe COVID‐19 Enabled by the Synergistic Mechanisms of Action of Auranofin and Remdesivir

Advanced Science, EarlyView.
FDA‐approved anti‐inflammatory drug Auranofin inhibits SARS‐CoV‐2 replication by inhibiting viral Main protease activity and Spike processing required for viral entry. It shows strong synergy with nucleoside analogue Remdesivir, due to non‐overlapping mechanisms.
Oyahida Khatun, Rohan Narayan, Santhosh Kambaiah Nagaraj, Rishad Shiraz, Abinaya Kaliappan, Sumandeep Kaur, Ankur Singh, Siva Shanmugam Selvaraj, Gudepalya Renukaiah Rudramurthy, Chakenahalli Naveenkumar, Shridhar Narayanan, Radha Krishan Shandil, Shailly Tomar, Shashank Tripathi   +13 more
wiley   +1 more source

In silico design and validation of a Plasmodium falciparum multi-epitope diagnostic antigen (PfMEDA1) for the diagnosis of falciparum malaria. [PDF]

BMC Infect Dis
Moyeh MN, Shey RA, Mbulli AI, Dieudonne NL, Sofeu-Feugaing DD, Yega VA, Talla RN, Soh-Bang C, Sherinyuy BC, Ngengang AC, Chick JA, Mbacham WF.   +11 more
europepmc   +1 more source

Gut Microbiota‐Derived Indole‐3‐Acetaldehyde Contributes to the Disease‐Alleviating Effects of Kurarinone in Experimental Autoimmune Encephalomyelitis

Advanced Science, EarlyView.
Kurarinone ameliorates EAE via the gut microbiota‐indole‐3‐acetaldehyde‐AhR axis. Kurarinone reshapes gut microbiota and increases Akkermansia muciniphila, which promotes intestinal indole‐3‐acetaldehyde production. Indole‐3‐acetaldehyde crosses the intestinal barrier, activates AhR in CD4+ T cells, upregulates SOCS1/3, inhibits JAK2 and STAT3/4 ...
Xinyan Han, Jiaqi Ding, Zonghao Pan, Weitai He, Xue Kang, Cong Zhao, Yi Li, Di Wu, Hongzeng Li, Kaixi Ren, Jiaji Lin, Jun Guo   +11 more
wiley   +1 more source