Results 151 to 160 of about 26,236 (204)

MBind: A Web-Based Platform for Metalloprotein and Nonmetalloprotein Docking with Optional ML Docking Integration. [PDF]

Molecules
Ganesh H, Mada S, Aryal S, Zwa R, Diaz KL, Patel I, Dakshanamurthy S.   +6 more
europepmc   +1 more source

Combating Campylobacter Resistance in Moroccan Poultry Using Essential Oil–Ciprofloxacin Combination

Veterinary Medicine and Science, Volume 12, Issue 6, November 2026.
With an estimated prevalence of 15.52% in Moroccan poultry, Campylobacter species pose a significant food safety concern. We investigated whether essential oils (EOs) could restore the efficacy of ciprofloxacin against multidrug‐resistant (MDR) strains.
Zineb Soubai, Nadia Ziyate, Rim Rais, Hamza Elhrech, Oumayma Aguerd, Abdelhakim Bouyahya, Taoufiq Benali, Mohamed Akhazzane, Hiba Mahir, Siham Fellahi, Waleed Al Abdulmonem, Imane El Houssni, Benaissa Attarassi, Nabila Auajjar   +13 more
wiley   +1 more source

Computational Evaluation of Multitarget Capabilities of Phenylethanoid Glycosides Against SARS-CoV-2's 3CL^pro and PL^pro. [PDF]

Pharmaceuticals (Basel)
Alves Esteves ME, Veiga Andriolo B, Cheohen CFAR, da Fonseca TS, Freire Campos M, Leal CM, Allonso D, Leitão GG, Leitão SG, Leal da Silva M.   +9 more
europepmc   +1 more source

4‐Octyl Itaconate Attenuates Age‐Induced Parotid Gland Dysfunction Through the Suppression of Fibrosis and Lipid Deposition by AMPKα/PPARα and the Inhibition of Oxidative Stress via the AMPKα/Nrf2 Signaling Pathway

The FASEB Journal, Volume 40, Issue 19, 15 October 2026.
4‐Octyl itaconate (4‐OI) attenuates age‐induced parotid gland dysfunction through the suppression of fibrosis and lipid deposition by AMPKα/PPARα and the inhibition of oxidative stress via the AMPKα/Nrf2 signaling pathway. 4‐OI activates AMPKα, which in turn stimulates both the PPARα and Nrf2 pathways. Activation of PPARα enhances FAO and reduces lipid
Yun Chen, Tianyuan Gong, Zhongyan Shan, Jing Lai, Yiming Xu, Han Zhao, Lilei Zhu   +6 more
wiley   +1 more source

Evaluating molecular docking for binding affinity predictions: a systematic analysis of key parameters and the utility of AlphaFold2 structures for the Schrödinger dataset. [PDF]

J Comput Aided Mol Des
Tornesakis K, Essex JW, Cox PA, König G.   +3 more
europepmc   +1 more source

Targeting GALNT7 Disrupts the TAZ O‐GalNAcylation Feedback Loop to Suppress Gallbladder Cancer Progression

Advanced Science, Volume 13, Issue 55, 5 October 2026.
Aberrant GALNT7‐mediated O‐GalNAcylation stabilizes TAZ to drive gallbladder cancer progression through a feed‐forward transcriptional loop. Structure‐based screening identifies Olaparib as a potent GALNT7 antagonist that disrupts this oncogenic axis, providing an immediate therapeutic strategy for this aggressive malignancy.
Peng Qiu, Ming Zhang, Yunxiang Feng, Yibo Deng, Kai Zhao, Xiangyu Li, Yun Lu, Li Tian, Tao Yang, Wei Yao, Jianming Wang, Zhengdong Deng   +11 more
wiley   +1 more source

Generative AI-Based Drug Design: Target-Aware Molecular Generation for EGFR Type I Inhibitors with Multiplatform Docking Validation. [PDF]

ACS Omega
Khan T, Kwak YB, Kim HC.
europepmc   +1 more source

Trypsinogen Pro‐Region as a Molecular Scaffold for the Design of Competitive Peptide Inhibitors of Trypsin‐Like Proteases

Archives of Insect Biochemistry and Physiology, Volume 123, Issue 2, October 2026.
Rational design of the trypsinogen pro‐region generated the peptide inhibitors GORE3, GORE4, and GORE5. Computational screening and enzyme kinetics demonstrated competitive inhibition of trypsin‐like proteases, with GORE5 showing the highest experimental potency and supporting pro‐region‐derived peptides as promising protease‐targeting molecules ...
Geisiane Aparecida Mariano, João Vitor Aguilar de Oliveira, Rafael Júnior de Andrade, Daniel Guimarães Silva Paulo, Yaremis Beatriz Meriño Cabrera, Eulálio Gutemberg Dias dos Santos, Ian Lucas Batista Santos, Milena Godoi Lima, Maria Julia Summy, Otávio José Bernardes Brustolini, Neilier Rodrigues da Silva Júnior, Humberto Josué Oliveira Ramos, Maria Goreti de Almeida Oliveira   +12 more
wiley   +1 more source

PL-PatchSurfer3: improved structure-based virtual screening for structure variation using 3D Zernike descriptors. [PDF]

J Cheminform
Shin WH, Kagaya Y, Jang W, Kihara D.
europepmc   +1 more source

Glycyrrhizic Acid Relieves Fatigue Induced by Acute and Chronic Exercise in Mice via Inhibition of the NF‐κB/NLRP3 Signaling Pathway

Brain and Behavior, Volume 16, Issue 10, October 2026.
Molecular mechanism diagram of Gly‐A in the treatment of acute and chronic exercise‐fatigue. ABSTRACT Background Glycyrrhizic acid (Gly‐A) exhibits anti‐inflammatory and antioxidant effects in various central nervous system disorders. Acute fatigue and chronic fatigue (CF) are associated with serious physical and psychological effects.
Xin‐ying Cai, Wen‐jun Li, Cai‐xia Chen, Lu Peng, Li‐chao Yang, Xiao‐ning Lin, Hong‐tao Liu, Jian‐bo Jia, Yan‐chao Jiao, Ying Li   +9 more
wiley   +1 more source