Search Results - "Hu, Zhenquan"

OpenVirtualToxLab—A platform for generating and exchanging in silico toxicity data by Vedani, Angelo, Dobler, Max, Hu, Zhenquan, Smieško, Martin

“…The VirtualToxLab is an in silico technology for estimating the toxic potential—endocrine and metabolic disruption, some aspects of carcinogenicity and…”
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Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes by Xiao, Peng, Yan, Wei, Gou, Lu, Zhong, Ya-Ni, Kong, Liangliang, Wu, Chao, Wen, Xin, Yuan, Yuan, Cao, Sheng, Qu, Changxiu, Yang, Xin, Yang, Chuan-Cheng, Xia, Anjie, Hu, Zhenquan, Zhang, Qianqian, He, Yong-Hao, Zhang, Dao-Lai, Zhang, Chao, Hou, Gui-Hua, Liu, Huanxiang, Zhu, Lizhe, Fu, Ping, Yang, Shengyong, Rosenbaum, Daniel M., Sun, Jin-Peng, Du, Yang, Zhang, Lei, Yu, Xiao, Shao, Zhenhua

“…Dopamine receptors, including D1- and D2-like receptors, are important therapeutic targets in a variety of neurological syndromes, as well as cardiovascular…”
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Aspochalasin H1: A New Cyclic Aspochalasin from Hawaiian Plant-Associated Endophytic Fungus Aspergillus sp. FT1307 by Qader, Mallique, Zaman, K H Ahammad Uz, Hu, Zhenquan, Wang, Cong, Wu, Xiaohua, Cao, Shugeng

“…is one of the most diverse genera, and it is chemically profound and known to produce many biologically active secondary metabolites. In the present study, a…”
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Mechanism of host substrate acetylation by a YopJ family effector by Zhang, Zhi-Min, Ma, Ka-Wai, Gao, Linfeng, Hu, Zhenquan, Schwizer, Simon, Ma, Wenbo, Song, Jikui

“…The Yersinia outer protein J (YopJ) family of bacterial effectors depends on a novel acetyltransferase domain to acetylate signalling proteins from plant and…”
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Axitinib overcomes multiple imatinib resistant cKIT mutations including the gatekeeper mutation T670I in gastrointestinal stromal tumors by Liu, Feiyang, Zou, Fengming, Chen, Cheng, Yu, Kailin, Liu, Xiaochuan, Qi, Shuang, Wu, Jiaxin, Hu, Chen, Hu, Zhenquan, Liu, Juan, Liu, Xuesong, Wang, Li, Ge, Juan, Wang, Wenchao, Ren, Tao, Bai, Mingfeng, Cai, Yujiao, Xiao, Xudong, Qian, Feng, Tang, Jun, Liu, Qingsong, Liu, Jing

“…Background: cKIT kinase overexpression and gain-of-function mutations are the critical pathogenesis of gastrointestinal stromal tumors (GISTs). Although the…”
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Using PyMOL as a platform for computational drug design by Yuan, Shuguang, Chan, H.C. Stephen, Hu, Zhenquan

“…PyMOL, a cross‐platform molecular graphics tool, has been widely used for three‐dimensional (3D) visualization of proteins, nucleic acids, small molecules,…”
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W246(6.48) opens a gate for a continuous intrinsic water pathway during activation of the adenosine A2A receptor by Yuan, Shuguang, Hu, Zhenquan, Filipek, Slawomir, Vogel, Horst

“…The question how G-protein-coupled receptors transduce an extracellular signal by a sequence of transmembrane conformational transitions into an intracellular…”
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Circumdatin M, a new benzodiazepine alkaloid with a unique pyrimidone-4-pyrone moiety from a Hawaiian marine fungus Aspergillus sp. FM242 by Wang, Fuqian, Hu, Zhenquan, Li, Chunshun, Wu, Xiaohua, Cao, Shugeng

“…[Display omitted] •Circumdatin M (1) is a new benzodiazepine with a unique pyrimidone-4-pyrone moiety.•The absolute configuration of circumdatin M (1) was…”
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Two new tricycloalternarenes from Hawaiian endophytic fungus Didymella sp. FT433 by Li, Chunshun, Hu, Zhenquan, Liu, Qingsong, Wu, Xiaohua, Cao, Shugeng

“…[Display omitted] •Tricycloalternarenes M (1) and N (2) are new polyketides, which have not been reported before.•The absolute configuration was determined by…”
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Assessing the Performance of Traveling-salesman based Automated Path Searching (TAPS) on Complex Biomolecular Systems by Xi, Kun, Hu, Zhenquan, Wu, Qiang, Wei, Meihan, Qian, Runtong, Zhu, Lizhe

“…Though crucial for understanding the function of large biomolecular systems, locating the minimum free energy paths (MFEPs) between their key conformational…”
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Salviachinensines A–F, Antiproliferative Phenolic Derivatives from the Chinese Medicinal Plant Salvia chinensis by Wang, Qi, Hu, Zhenquan, Li, Xixiang, Wang, Aoli, Wu, Hong, Liu, Jing, Cao, Shugeng, Liu, Qingsong

“…Six new phenolic acid derivatives, salviachinensines A–F (1–6), together with 14 known compounds (7–20) were isolated from the Chinese medicinal plant Salvia…”
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Clavukoellians A–F, Highly Rearranged Nardosinane Sesquiterpenoids with Antiangiogenic Activity from Clavularia koellikeri by Wang, Qi, Hu, Zhenquan, Luo, Xiangchao, Liu, Jing, Li, Guoqiang, Cao, Shugeng, Liu, Qingsong

“…Six new nardosinane-type sesquiterpenoids, clavukoellians A–F (1–6), together with one new neolemnane-type sesquiterpene, 4-O-deacetylparalemnolin D (7), were…”
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Secondary Metabolites from the Leather Coral-Derived Fungal Strain Xylaria sp. FM1005 and Their Glycoprotein IIb/IIIa Inhibitory Activity by Zaman, KH Ahammad Uz, Park, Jae Hyeon, DeVine, Lela, Hu, Zhenquan, Wu, Xiaohua, Kim, Hyung Sik, Cao, Shugeng

“…Five new tyrosine derivatives (1–5), one new phenylacetic acid derivative (6), two new quinazolinone analogues (7 and 8), one new naphthalene­dicarboxylic acid…”
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Tryptoquivalines W and X, two new compounds from a Hawaiian fungal strain and their biological activities by Ahammad Uz Zaman, KH, Hu, Zhenquan, Wu, Xiaohua, Cao, Shugeng

“…[Display omitted] •Tryptoquivalines W and X have not been reported before.•NMR calculation was utilized to confirm the structure determination.•Absolute…”
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Implementing WebGL and HTML5 in Macromolecular Visualization and Modern Computer-Aided Drug Design by Yuan, Shuguang, Chan, H.C. Stephen, Hu, Zhenquan

“…Web browsers have long been recognized as potential platforms for remote macromolecule visualization. However, the difficulty in transferring large-scale data…”
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Discovery of (S)‑2-(1-(4-Amino-3-(3-fluoro-4-methoxyphenyl)‑1H‑pyrazolo[3,4‑d]pyrimidin-1-yl)propyl)-3-cyclopropyl-5-fluoroquinazolin-4(3H)‑one (IHMT-PI3Kδ-372) as a Potent and Selective PI3Kδ Inhibitor for the Treatment of Chronic Obstructive Pulmonary Disease by Li, Feng, Liang, Xiaofei, Jiang, Zongru, Wang, Aoli, Wang, Junjie, Chen, Cheng, Wang, Wenliang, Zou, Fengming, Qi, Ziping, Liu, Qingwang, Hu, Zhenquan, Cao, Jiangyan, Wu, Hong, Wang, Beilei, Wang, Li, Liu, Jing, Liu, Qingsong

“…Accumulated pieces of evidence have shown that PI3Kδ plays a critical role in chronic obstructive pulmonary disease (COPD). Using a fragment-hybrid approach,…”
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Discovery of N-(5-((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)-4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)phenyl)acrylamide (CHMFL-ALK/EGFR-050) as a potent ALK/EGFR dual kinase inhibitor capable of overcoming a variety of ALK/EGFR associated drug resistant mutants in NSCLC by Chen, Yongfei, Wu, Jiaxin, Wang, Aoli, Qi, Ziping, Jiang, Taoshan, Chen, Cheng, Zou, Fengming, Hu, Chen, Wang, Wei, Wu, Hong, Hu, Zhenquan, Wang, Wenchao, Wang, Beilei, Wang, Li, Ren, Tao, Zhang, Shanchun, Liu, Qingsong, Liu, Jing

“…Recently, more and more concomitant EGFR mutations and ALK rearrangement are observed from the clinic, which still lacks effective single-agent therapy…”
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Discovery of (E)-N-(4-methyl-5-(3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)thiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide (IHMT-TRK-284) as a novel orally available type II TRK kinase inhibitor capable of overcoming multiple resistant mutants by Wang, Beilei, Zhang, Wentao, Liu, Xuesong, Zou, Fengming, Wang, Junjie, Liu, Qingwang, Wang, Aoli, Hu, Zhenquan, Chen, Yongfei, Qi, Shuang, Jiang, Zongru, Chen, Cheng, Hu, Chen, Wang, Li, Wang, Wenchao, Liu, Qingsong, Liu, Jing

“…Due to the critical tumorigenic role of fused NTRK genes in multiple cancers, TRK kinases have attracted extensive attention as a drug discovery target…”
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Discovery of 2‑(4-Chloro-3-(trifluoromethyl)phenyl)‑N‑(4-((6,7-dimethoxyquinolin-4-yl)oxy)phenyl)acetamide (CHMFL-KIT-64) as a Novel Orally Available Potent Inhibitor against Broad-Spectrum Mutants of c‑KIT Kinase for Gastrointestinal Stromal Tumors by Wu, Yun, Wang, Beilei, Wang, Junjie, Qi, Shuang, Zou, Fengming, Qi, Ziping, Liu, Feiyang, Liu, Qingwang, Chen, Cheng, Hu, Chen, Hu, Zhenquan, Wang, Aoli, Wang, Li, Wang, Wenchao, Ren, Tao, Cai, Yujiao, Bai, Mingfeng, Liu, Qingsong, Liu, Jing

“…Starting from our previously developed c-KIT kinase inhibitor CHMFL-KIT-8140, through a type II kinase inhibitor binding element hybrid design approach, we…”
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NF-κB Inhibitory and Antibacterial Helvolic and Fumagillin Derivatives from Aspergillus terreus by Zaman, KH Ahammad Uz, Hu, Zhenquan, Wu, Xiaohua, Hou, Shaobin, Saito, Jennifer, Kondratyuk, Tamara P, Pezzuto, John M, Cao, Shugeng

“…Two new helvolic acid analogues (1 and 2) and one new fumagillin derivative containing an octahydroisobenzofuran moiety (3), together with four known compounds…”
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