Results 111 to 120 of about 26,236 (204)

CrossDocker: a tool for performing cross-docking using Autodock Vina. [PDF]

Springerplus, 2016
Shamsara J.
europepmc   +1 more source

Unsaturated biobased polyesters from bicyclic α‐pinene‐based diols

Polymer International, EarlyView.
We present the synthesis of four biosourced unsaturated polyesters made from chiral terpene‐based diols and esters of renewable diacids. The resulting materials harbor a bicyclic pinene ring in their backbones which leads to enhanced thermal properties while still conferring susceptibility to enzyme hydrolysis for chains having a cis alkene.
Ganapathy Ranjani, Shengwei Sun, Erik Sundén, Diana Bernin, Per‐Olof Syrén   +4 more
wiley   +1 more source

Characterization of a novel R98Q mutation that confers resistance to sulfentrazone in common ragweed (Ambrosia artemisiifolia) populations from Michigan

Pest Management Science, EarlyView.
Field‐collected Ambrosia artemisiifolia populations from Michigan, USA, soybean fields exhibited strong resistance to the protoporphyrinogen IX oxidase (PPO)‐inhibiting herbicide sulfentrazone and reduced sensitivity to fomesafen. Target‐site analysis identified a novel Arg‐98‐Gln (R98Q) substitution in PPO2, co‐occurring with the previously reported ...
Sara Álvarez‐Rodríguez, Michael Ozolins, Aimone Porri, Jens Lerchl, Eric Patterson   +4 more
wiley   +1 more source

Dehydrocostus Lactone Suppresses Hepatocellular Carcinoma by Inhibiting Protein Tyrosine Kinase‐7 Mediated β‐Catenin Signaling

Phytotherapy Research, EarlyView.
Schematic summary of the experimentally supported mechanism of DHL in hepatocellular carcinoma. Dehydrocostus lactone (DHL), a sesquiterpene lactone derived from Aucklandia lappa, directly engages protein tyrosine kinase 7 (PTK7), as supported by molecular docking, CETSA, and DARTS assays.
Xiwen Fan, Junhui Li, Yu Qiao, Yuwen Zhong, Xuecheng Ge, Yaoshuai Zhang, Zishu Wang, Feng Qian, Weixin Ren   +8 more
wiley   +1 more source

Unveiling novel drug-target couples: an empowered automated pipeline for enhanced virtual screening using AutoDock Vina. [PDF]

Bioinform Adv
Bonomi S, Carsi S, Turilli-Ghisolfi ES, Oltra E, Alberio T, Fasano M.   +5 more
europepmc   +1 more source

Betulinic Acid Enema Alleviates Colitis by Targeting Vitamin D Receptor to Protect the Intestinal Mucosal Barrier and Modulate Mucosa‐Associated Microbiota

Phytotherapy Research, EarlyView.
ABSTRACT Ulcerative colitis (UC) is a chronic inflammatory disease of the colon with limited effectiveness and safety of current drug therapies. Betulinic acid (BA) is a naturally occurring pentacyclic triterpenoid present in traditional Chinese medicines used clinically as retention enemas for UC, but its direct effects and mechanisms remain unclear ...
Lina Dong, Yuanxia Gao, Qian Li, Guangxin Chen, Dong Yang, Liping Zhao, Xiaojing Liu, Shumei Lin   +7 more
wiley   +1 more source

Transcriptome Inference and Systematic Approaches to Investigate TCM Compounds With Beneficial Metabolic Effects

Phytotherapy Research, EarlyView.
ABSTRACT Obesity is a major risk factor for type 2 diabetes. Some traditional Chinese medicine (TCM) compounds can improve obesity by increasing energy consumption. This study aimed to identify and verify TCM compounds that promote adipose thermogenesis to alleviate obesity via transcriptomic analysis, molecular docking, network pharmacology, and ...
Jing Li, Yang‐Chi‐Dung Lin, Hsi‐Yuan Huang, Jihang Chen, Huali Zuo, Yun Tang, Hsien‐Da Huang   +6 more
wiley   +1 more source

Baicalin Induces Ferroptosis in Breast Cancer Through a Novel STAT3/HO‐1/GPX4 Regulatory Axis

Phytotherapy Research, EarlyView.
BA inhibits STAT3 phosphorylation and activation in BC cells, accompanied by decreased expression of HO‐1 and GPX4. Reduced GPX4 activity impairs lipid peroxide clearance, promoting ROS accumulation and lipid peroxidation, which ultimately triggers ferroptosis and inhibits cell proliferation.
Tingting Guo, Fansu Meng, Detang Li, Maciej Mazur, Alicia Marcelina Díaz García, Mulazim Hussain Asim, Zhong Chen, Yiqi Chen, Yixuan Lin, Zhenjiang Yang, Panpan Wang, Yu Cai   +11 more
wiley   +1 more source

Salvianolic Acid C Protects Against Hepatic Ischemia–Reperfusion Injury via Heat Shock Protein 90α‐Mediated Activation of the Phosphatidylinositol 3‐Kinase/Protein Kinase B Signaling Pathway

Phytotherapy Research, EarlyView.
Salvianolic acid C (SaC) protects against hepatic ischemia–reperfusion injury (HIRI) by upregulating HSP90α and activating the PI3K/AKT pathway, thereby alleviating oxidative stress, inflammation, apoptosis, and necrosis. ABSTRACT Hepatic ischemia–reperfusion injury (HIRI) is a major challenge in liver surgery, and effective pharmacological ...
Pingping Qiao, Alimu Tulahong, Xinlu Xu, Tiemin Jiang, Ruiqing Zhang, Yanze Lin, Zhongdian Yuan, Rexiati Ruze, Yingmei Shao   +8 more
wiley   +1 more source

Apigenin Protects Hypertensive Intracerebral Hemorrhage by Regulating Trx1 Through Binding to PRDX2

Phytotherapy Research, EarlyView.
ABSTRACT Intracerebral hemorrhage (ICH) remains the most severe stroke subtype with high mortality and disability rates. Although apigenin has shown cerebroprotective potential in preclinical studies, its mechanism of action, particularly in hypertensive ICH, remains poorly understood.
Hao‐chen Xu, Ming Liu, Ying‐ying Sun, Jie‐Dan Ping, Qing‐hua Cui, Jing‐zhou Chen, Hao Li   +6 more
wiley   +1 more source