Search Results - "Li, Jiazhong"

Anti-Oxidation and Anti-Inflammatory Potency Evaluation of Ferulic Acid Derivatives Obtained through Virtual Screening by Shi, Yuqi, Chen, Xuelian, Qiang, Shaojia, Su, Jie, Li, Jiazhong

“…Various factors such as ultraviolet rays can cause a continuous threat to our skin, resulting in inflammation or oxidation problems. Ferulic acid (FA), with…”
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Molecular Dynamics Simulations to Investigate How PZM21 Affects the Conformational State of the μ-Opioid Receptor Upon Activation by Zhao, Zhennan, Huang, Tingting, Li, Jiazhong

“…Opioid analgesics such as morphine have indispensable roles in analgesia. However, morphine use can elicit side effects such as respiratory depression and…”
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Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM-GBSA calculation by Du, Juan, Sun, Huijun, Xi, Lili, Li, Jiazhong, Yang, Ying, Liu, Huanxiang, Yao, Xiaojun

“…Developing chemicals that inhibit checkpoint kinase 1 (Chk1) is a promising adjuvant therapeutic to improve the efficacy and selectivity of DNA‐targeting…”
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Studying the Binding Modes of Novel 2-Aminopyridine Derivatives as Effective and Selective c-Met Kinase Type 1 Inhibitors Using Molecular Modeling Approaches by Ye, Qianwen, Fu, Chenggong, Li, Jiazhong

“…The mesenchymal epithelial cell transforming factor c-Met, encoded by c-Met proto-oncogene and known as a high-affinity receptor for Hepatocyte Growth Factor…”
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Screening and Activity Evaluation of Novel BCR-ABL/T315I Tyrosine Kinase Inhibitors by Su, Jie, Fu, Chenggong, Wang, Shuo, Chen, Xuelian, Wang, Runan, Shi, Huaihuai, Li, Jiazhong, Wang, Xin

“…Chronic myeloid leukemia (CML) is a kind of malignant tumor formed by the clonal proliferation of bone marrow hematopoietic stem cells. BCR-ABL fusion protein,…”
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Exploring the influence of carbon nanoparticles on the formation of β-sheet-rich oligomers of IAPP₂₂₋₂₈ peptide by molecular dynamics simulation by Guo, Jingjing, Li, Jiazhong, Zhang, Yan, Jin, Xiaojie, Liu, Huanxiang, Yao, Xiaojun

“…Recent advances in nanotechnologies have led to wide use of nanomaterials in biomedical field. However, nanoparticles are found to interfere with protein…”
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Classification and Virtual Screening of Androgen Receptor Antagonists by Li, Jiazhong, Gramatica, Paola

“…Computational tools, such as quantitative structure−activity relationship (QSAR), are highly useful as screening support for prioritization of substances of…”
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Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set by Sushko, Iurii, Novotarskyi, Sergii, Körner, Robert, Pandey, Anil Kumar, Cherkasov, Artem, Li, Jiazhong, Gramatica, Paola, Hansen, Katja, Schroeter, Timon, Müller, Klaus-Robert, Xi, Lili, Liu, Huanxiang, Yao, Xiaojun, Öberg, Tomas, Hormozdiari, Farhad, Dao, Phuong, Sahinalp, Cenk, Todeschini, Roberto, Polishchuk, Pavel, Artemenko, Anatoliy, Kuz’min, Victor, Martin, Todd M, Young, Douglas M, Fourches, Denis, Muratov, Eugene, Tropsha, Alexander, Baskin, Igor, Horvath, Dragos, Marcou, Gilles, Muller, Christophe, Varnek, Alexander, Prokopenko, Volodymyr V, Tetko, Igor V

“…The estimation of accuracy and applicability of QSAR and QSPR models for biological and physicochemical properties represents a critical problem. The developed…”
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Discovery and Identification of Pyrazolopyramidine Analogs as Novel Potent Androgen Receptor Antagonists by Wang, Lingyan, Song, Tianqing, Wang, Xin, Li, Jiazhong

“…Androgen receptor (AR), an important target in the current androgen derivation therapy, plays a critical role in the development and progress of prostate…”
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Virtual Screening and Bioactivity Evaluation of Novel Androgen Receptor Antagonists From Anti-PCa Traditional Chinese Medicine Prescriptions by Han, Wenya, Shi, Yuqi, Su, Jie, Zhao, Zhennan, Wang, Xin, Li, Jiazhong, Liu, Huanxiang

“…Prostate cancer (PCa), a type of malignancy that arises in the prostate gland, is the most commonly diagnosed neoplasm and the second leading cause of…”
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Structural Optimization of Cannabidiol as Multifunctional Cosmetic Raw Materials by Chen, Xuelian, Su, Jie, Wang, Runan, Hao, Rui, Fu, Chenggong, Chen, Jingjing, Li, Jiazhong, Wang, Xin

“…Cannabidiol (CBD), derived from the plant cannabis, can be used in the cosmetics industry for its antioxidant, anti-inflammatory, anti-wrinkle and whitening…”
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importance of molecular structures, endpoints' values, and predictivity parameters in QSAR research: QSAR analysis of a series of estrogen receptor binders by Li, Jiazhong, Gramatica, Paola

“…Quantitative structure-activity relationship (QSAR) methodology aims to explore the relationship between molecular structures and experimental endpoints,…”
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Exploring the Interaction Mechanism Between Cyclopeptide DC3 and Androgen Receptor Using Molecular Dynamics Simulations and Free Energy Calculations by Zhang, Huimin, Song, Tianqing, Yang, Yizhao, Fu, Chenggong, Li, Jiazhong

“…Androgen receptor (AR) is a key target in the discovery of anti-PCa (Prostate Cancer) drugs. Recently, a novel cyclopeptide (DC3), isolated from , has been…”
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In silico classification and prediction of VIP derivatives as VPAC1/ VPAC2 receptor agonists/antagonists by Li, Jiazhong, Wang, Xin, Liu, Huanxiang, Li, Hongyu

“…Vasoactive intestinal polypeptide (VIP) is an intrinsic 28-amino acid peptide, involved in a wide range of physiologic effects, and therefore considered as a…”
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Structure–activity relationship study of oxindole-based inhibitors of cyclin-dependent kinases based on least-squares support vector machines by Li, Jiazhong, Liu, Huanxiang, Yao, Xiaojun, Liu, Mancang, Hu, Zhide, Fan, Botao

“…The least-squares support vector machines (LS-SVMs), as an effective modified algorithm of support vector machine, was used to build structure–activity…”
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Prediction of infinite-dilution activity coefficients of organic solutes in ionic liquids using temperature-dependent quantitative structure–property relationship method by Xi, Lili, Sun, Huijun, Li, Jiazhong, Liu, Huanxiang, Yao, Xiaojun, Gramatica, Paola

“…Ionic liquids (ILs) are a type of potential green solvents, which can be used as a media for reaction and separation. The infinite-dilution activity…”
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Prediction of the adsorption capability onto activated carbon of a large data set of chemicals by local lazy regression method by Lei, Beilei, Ma, Yimeng, Li, Jiazhong, Liu, Huanxiang, Yao, Xiaojun, Gramatica, Paola

“…Accurate quantitative structure–property relationship (QSPR) models based on a large data set containing a total of 3483 organic compounds were developed to…”
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Studies on the interaction of gallic acid with human serum albumin in membrane mimetic environments by Zhang, Yaheng, Dong, Lijun, Li, Jiazhong, Chen, Xingguo

“…In this study the interaction between gallic acid and human serum albumin (HSA) in AOT/isooctane/water microemulsions was characterized for the first time…”
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Global, local and novel consensus quantitative structure-activity relationship studies of 4-(Phenylaminomethylene) isoquinoline-1, 3 (2 H, 4 H)-diones as potent inhibitors of the cyclin-dependent kinase 4 by Lei, Beilei, Xi, Lili, Li, Jiazhong, Liu, Huanxiang, Yao, Xiaojun

“…Quantitative structure-activity relationship (QSAR) studies on a series of selective inhibitors of the cyclin-dependent kinase 4 (CDK4) were performed by using…”
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A Combined Quantitative Structure-Activity Relationship Research of Quinolinone Derivatives as Androgen Receptor Antagonists by Wang, Yuwei, Bai, Fang, Cao, Hong, Li, Jiazhong, Liu, Huanxiang, Gramatica, Paola

“…Antiandrogens bicalutamide, flutamide and enzalutamide etc. have been used in clinical trials to treat prostate cancer by binding to and antagonizing androgen…”
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