Results 191 to 200 of about 13,822,676 (240)

Computational Repurposing of FDA-Approved Drugs as Candidate MMP2 Inhibitors with Putative MMP3 Cross-Activity. [PDF]

Int J Mol Sci
Zekri S, Ait Lahcen N, Liman W, Bianchini F, Oubahmane M, Hdoufane I, Cherqaoui D.   +6 more
europepmc   +1 more source

Drug‐coated balloons: From conventional designs to next‐generation innovations in vascular therapy

BMEMat, Volume 4, Issue 3, September 2026.
This review traces the evolution of drug‐coated balloons (DCBs) from conventional designs to next‐generation platforms. We highlight innovations in balloon engineering, coating technologies, and therapeutic agents that enhance localized drug delivery while addressing challenges in efficiency, safety, and biocompatibility for vascular and emerging non ...
Lu Zhang, Jiawei Cui, Jin Wang, Manfred F. Maitz, Rifang Luo, Yunbing Wang   +5 more
wiley   +1 more source

Identification of New Anti-Trypanosoma brucei Leads: An Integrated CRK12-Guided Virtual Screen With Experimental Validation. [PDF]

Chem Biol Drug Des
Li Q, Fu C, Luo J, Zhang Q, Wang L, Liu X, Qiu J, Gong X, Tong HHY, Yao X, Lai D, Liu H.   +11 more
europepmc   +1 more source

Design, Synthesis, and Evaluation of New 1,4‐Naphthoquinone‐1,2,3‐triazoles as Antimalarial Agents

Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.
Compound 9g, a 1,4‐naphthoquinone‐1,2,3‐triazole derivative, exhibited potent activity against P. falciparum 3D7 and in silico analysis revealed strong interactions with 1J3 and 1LDG targets, while MD simulations confirmed the stability of the ligand‐3FGO complex.
Lina Rezainia, Mohammad Hosein Sayahi, Eisa Kaveh Vernousfaderani, Seyedeh Sara Mirfazli, Mohammad Hossein Morshedsolouk, Navid Dastyafteh, Mehdi Nateghpour, Leila Farivar, Mina Saeedi, Haleh Hanifian, Mahdi Mohebali, Seyedeh Mana Shafiee, Gholamreza Hassanpour, Mohammad Mahdavi   +13 more
wiley   +1 more source

N‐(1H‐Indazolyl) Aryl Sulfonamide Hybrids as Potential Dihydropteroate Synthase Inhibitors: In Vitro Antibacterial Activity Against Escherichia coli and Staphylococcus aureus and Computational Modeling

Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.
Sixteen indazole–sulfonamide hybrids exhibit species‐dependent antibacterial activity against E. coli and S. aureus, with the lead compound displaying an eightfold lower MIC than sulfathiazole against E. coli. Molecular docking against wild‐type and Sul1‐resistant dihydropteroate synthase identifies a candidate retaining binding affinity toward the ...
Romaisaa Boudza, Ferdaous Elandaloussi, Khalid Boujdi, Jaume Segura‐Garcia, Nabil El Brahmi, Saïd El Kazzouli, Ismaïl Moukadiri, Sergi Maicas, Salim Bounou   +8 more
wiley   +1 more source

PharmaGNN: a model for odor prediction based on graph neural networks. [PDF]

J Sci Food Agric
Liu Y, Song Q, Shoaib M, Nan X, Ma J, Cui K, Shang Y, Song J.   +7 more
europepmc   +1 more source

Synthesis and Hepatotoxicity Evaluation of Paeonol Clofibrate

Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.
CF‐Paeonol, a molecular hybrid of clofibric acid and paeonol, retains lipid‐lowering activity while producing markedly less hepatic injury than clofibrate (CF) in mice. Its benefits are accompanied by improved bile acid homeostasis, reduced oxidative stress and inflammation, decreased YY1 expression, and increased FXR expression, supporting molecular ...
Haoyu Tu, Ling Ding, Jing Zheng, Yichen Yang, Xin Chen, Yumiao Song, Xinyi Shi, Chuwen Wang, Xinya Xu, Jiping Liu, Yundong Xie   +10 more
wiley   +1 more source

Virtual Screening-Guided Identification of Candidate USP7-Inhibitory Scaffolds Exhibiting Antiproliferative Activity. [PDF]

Pharmaceuticals (Basel)
Oliveira RI, Franco C, Mano M, Leal AS, Salvador JAR.   +4 more
europepmc   +1 more source

Heterocyclic‐Based Fungicides: Emerging Strategies for Viable Plant Disease Control

Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.
Heterocyclic compounds have attracted considerable attention because of their structural diversity, potent antifungal activity, and ability to interact with multiple fungal targets, offering broad‐spectrum protection against phytopathogens. Synthetic and semisynthetic/part‐natural scaffolds, particularly azole, quinoline, indole, cyclotryptamine, and ...
Sumit Tahlan, Meenakshi Kaira, Sucheta Singh, Hrithik Dey, Kailash C. Pandey   +4 more
wiley   +1 more source

Explainable Artificial Intelligence (XAI) and Molecular Modeling Techniques to Discover Putative HER2 Inhibitors. [PDF]

Int J Mol Sci
Rampogu S, Balasubramaniyam T, Yoon CH, Kim Y, Kubiak JZ, Lee KW.   +5 more
europepmc   +1 more source