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Your search keyword '"Song, Jiali"' showing total 36 results
Start Over Author "Song, Jiali" Publisher elsevier bv
36 results on '"Song, Jiali"'

6. E2EFP-MIL: End-to-end and high-generalizability weakly supervised deep convolutional network for lung cancer classification from whole slide image

Author

Cao, Lei, primary, Wang, Jie, additional, Zhang, Yuanyuan, additional, Rong, Zhiwei, additional, Wang, Meng, additional, Wang, Liuying, additional, Ji, Jianxin, additional, Qian, Youhui, additional, Zhang, Liuchao, additional, Wu, Hao, additional, Song, Jiali, additional, Liu, Zheng, additional, Wang, Wenjie, additional, Li, Shuang, additional, Wang, Peiyu, additional, Xu, Zhenyi, additional, Zhang, Jingyuan, additional, Zhao, Liang, additional, Wang, Hang, additional, Sun, Mengting, additional, Huang, Xing, additional, Yin, Rong, additional, Lu, Yuhong, additional, Liu, Ziqian, additional, Deng, Kui, additional, Wang, Gongwei, additional, Qiu, Mantang, additional, Li, Kang, additional, Wang, Jun, additional, and Hou, Yan, additional

Published
2023
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15. The Capsicum MYB31 regulates capsaicinoid biosynthesis in the pepper pericarp

Author

Sun, Binmei, primary, Chen, Changming, additional, Song, Jiali, additional, Zheng, Peng, additional, Wang, Juntao, additional, Wei, Jianlang, additional, Cai, Wen, additional, Chen, Siping, additional, Cai, Yutong, additional, Yuan, Yuan, additional, Zhang, Shuanglin, additional, Liu, Shaoqun, additional, Lei, Jianjun, additional, Cheng, Guoju, additional, and Zhu, Zhangsheng, additional

Published
2022
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19. High fill factor organic solar cells with increased dielectric constant and molecular packing density

Author

Zhang, Xuning, primary, Li, Chao, additional, Xu, Jianqiu, additional, Wang, Rui, additional, Song, Jiali, additional, Zhang, Hong, additional, Li, Yanxun, additional, Jing, Ya-Nan, additional, Li, Shilin, additional, Wu, Guangbao, additional, Zhou, Jin, additional, Li, Xing, additional, Zhang, Yingying, additional, Li, Xiong, additional, Zhang, Jianqi, additional, Zhang, Chunfeng, additional, Zhou, Huiqiong, additional, Sun, Yanming, additional, and Zhang, Yuan, additional

Published
2022
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21. Molecular-docking-guided design and synthesis of new IAA-tacrine hybrids as multifunctional AChE/BChE inhibitors

Author

Kongkai Zhu, Hua Zhang, Song Jiali, Cheng-Shi Jiang, Juan Zhang, Zhi-Qiang Cheng, Chang-Liang Liu, and Luis Alexandre Muehlmann

Subjects
Molecular model, Molecular Dynamics Simulation, Ligands, 01 natural sciences, Biochemistry, Molecular mechanics, Structure-Activity Relationship, chemistry.chemical_compound, Drug Discovery, medicine, Humans, Molecular Biology, Butyrylcholinesterase, Cholinesterase, Indoleacetic Acids, Molecular Structure, biology, 010405 organic chemistry, Organic Chemistry, Active site, Hep G2 Cells, Acetylcholinesterase, 0104 chemical sciences, Molecular Docking Simulation, Kinetics, 010404 medicinal & biomolecular chemistry, HEK293 Cells, chemistry, Tacrine, biology.protein, Cholinesterase Inhibitors, Lead compound, Protein Binding, medicine.drug
Abstract

A series of new indole-3-acetic acid (IAA)-tacrine hybrids as dual acetylcholinesterase (AChE)/butyrylcholinesterase (BChE) inhibitors were designed and prepared based on the molecular docking mode of AChE with an IAA derivative (1a), a moderate AChE inhibitor identified by screening our compound library for anti-Alzheimer's disease (AD) drug leads. The enzyme assay results revealed that some hybrids, e.g. 5d and 5e, displayed potent dual in vitro inhibitory activities against AChE/BChE with IC50 values in low nanomolar range. Molecular modeling studies in tandem with kinetic analysis suggest that these hybrids target both catalytic active site and peripheral anionic site of cholinesterase (ChE). Molecular dynamic simulations and Molecular Mechanics/Poisson-Boltzmann Surface Area (MM-PBSA) calculations indicate that 5e has more potent binding affinity than hit 1a, which may explain the stronger inhibitory effect of 5e on AChE. Furthermore, their predicted pharmacokinetic properties and in vitro influences on mouse brain neural network electrical activity were discussed. Taken together, compound 5e can be highlighted as a lead compound worthy of further optimization for designing new anti-AD drugs.

Published
2019

22. Identification of 5-benzylidene-2-phenylthiazolones as potent PRMT5 inhibitors by virtual screening, structural optimization and biological evaluations

Author

Hua Zhang, Song Jiali, Cheng-Shi Jiang, Hongrui Tao, Jingqiu Liu, Kongkai Zhu, Cheng Luo, Zhifeng Chen, Yuanyuan Zhang, and Lu Jin

Subjects
0301 basic medicine, Protein-Arginine N-Methyltransferases, Arginine, Antineoplastic Agents, Apoptosis, Molecular Dynamics Simulation, Benzylidene Compounds, Biochemistry, Molecular Docking Simulation, Structure-Activity Relationship, 03 medical and health sciences, Cell Line, Tumor, Drug Discovery, Humans, Epigenetics, Molecular Biology, chemistry.chemical_classification, Virtual screening, Binding Sites, Molecular Structure, Protein arginine methyltransferase 5, Organic Chemistry, G1 Phase Cell Cycle Checkpoints, Thiazoles, 030104 developmental biology, Enzyme, Cell killing, chemistry, Databases, Chemical
Abstract

Protein arginine methyltransferase 5 (PRMT5) is an epigenetics related enzyme that has been validated as an important therapeutic target for glioblastoma and mantel cell lymphoma. In the present study, 11 novel PRMT5 inhibitors with 5-benzylidene-2-phenylthiazolone scaffold were identified by molecular docking-based virtual screening and structural optimization. Their IC50 values against PRMT5 at enzymatic level were ranging from 0.77 to 23 μM. As expected, the top two active hits (5 and 19) showed potent anti-proliferative activity against MV4-11 cells with EC50 values lower than 10 μM and reduced the cellular symmetric arginine dimethylation levels of SmD3 protein. Besides, 5 and 19 demonstrated the mechanism of cell killing in cell cycle arrest and apoptotic effect. The probable binding modes of the two compounds were explored and further verified by molecular dynamics simulation. The structure-activity relationship (SAR) of this class of structures was also discussed and further demonstrated by molecular docking simulation.

Published
2018

23. Discovery of new potent protein arginine methyltransferase 5 (PRMT5) inhibitors by assembly of key pharmacophores from known inhibitors

Author

Hongrui Tao, Zhi-Qiang Cheng, Cheng-Shi Jiang, Hua Zhang, Song Jiali, and Kongkai Zhu

Subjects
0301 basic medicine, Protein-Arginine N-Methyltransferases, Cell cycle checkpoint, Lymphoma, Arginine, Clinical Biochemistry, Pharmaceutical Science, Antineoplastic Agents, Molecular Dynamics Simulation, Biochemistry, Structure-Activity Relationship, 03 medical and health sciences, 0302 clinical medicine, Cell Line, Tumor, Drug Discovery, Humans, Enzyme Inhibitors, Molecular Biology, IC50, Cell Proliferation, chemistry.chemical_classification, Leukemia, Protein arginine methyltransferase 5, Organic Chemistry, Cell Cycle Checkpoints, Isoquinolines, Small molecule, In vitro, Molecular Docking Simulation, 030104 developmental biology, Enzyme, chemistry, Drug Design, 030220 oncology & carcinogenesis, Molecular Medicine, Pharmacophore
Abstract

Protein arginine methyltransferase 5 (PRMT5) is an epigenetics related enzyme that has been validated as a promising therapeutic target for human cancer. Up to now, two small molecule PRMT5 inhibitors has been put into phase I clinical trial. In the present study, a series of candidate molecules were designed by combining key pharmacophores of formerly reported PRMT5 inhibitors. The in vitro PRMT5 inhibitory testing of compound 4b14 revealed an IC50 of 2.71 μM, exhibiting high selectivity over PRMT1 and PRMT4 (>70-fold selective). As expected, 4b14 exhibited potent anti-proliferative activity against a panel of leukemia and lymphoma cells, including MV4-11, Pfeiffer, SU-DHL-4 and KARPAS-422. Besides, 4b14 showed significant cell cycle arrest and apoptosis-inducing effects, as well as reduced the cellular symmetric arginine dimethylation level of SmD3 protein. Finally, affinity profiling analysis indicated that hydrophobic interactions, π-π stacking and cation-π actions made the major contributions to the overall binding affinity. This scaffold provides a new chemical template for further development of better lead compounds targeting PRMT5.

Published
2018

26. A transceptor–channel complex couples nitrate sensing to calcium signaling in Arabidopsis

Author

Wang, Xiaohan, primary, Feng, Changxin, additional, Tian, LiLi, additional, Hou, Congcong, additional, Tian, Wang, additional, Hu, Bin, additional, Zhang, Qian, additional, Ren, Zhijie, additional, Niu, Qi, additional, Song, Jiali, additional, Kong, Dongdong, additional, Liu, Liangyu, additional, He, Yikun, additional, Ma, Ligeng, additional, Chu, Chengcai, additional, Luan, Sheng, additional, and Li, Legong, additional

Published
2021
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27. Two new quinolone alkaloids from Dianthus superbus var. superbus

Author

Tao-Yuan, Song Jiali, Hua Zhang, Cheng-Shi Jiang, Jin-Hai Yu, and Jia Sun

Subjects
Circular dichroism, biology, 010405 organic chemistry, medicine.drug_class, Chemistry, Stereochemistry, Organic Chemistry, Dianthus superbus, 010402 general chemistry, Quinolone, Antimicrobial, biology.organism_classification, 01 natural sciences, Biochemistry, 0104 chemical sciences, chemistry.chemical_compound, Drug Discovery, medicine, Bioassay, Moiety, Hydroxymethyl
Abstract

Two new quinolone alkaloids, superbusines A (1) and B (2), were obtained from the whole plants of a Chinese medicinal plant, Dianthus superbus var. superbus. Their structures, featuring a glucosyl moiety linked with a rare 2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenol fragment, were determined on the basis of detailed spectroscopic analyses, and the absolute configurations were assigned by time-dependent density functional theory (TD-DFT)-based electronic circular dichroism (ECD) calculations. The two alkaloids were evaluated in a series of bioassays without showing antimicrobial, anti-inflammatory, antioxidant, cytotoxic and α-glucosidase inhibitory properties, while they exhibited slight protection against amyloid-β(Aβ)-induced injury on neuron SH-SY5Y cells.

Published
2019

28. Increasing Molecular Packing Density and Dielectric Constant in Non-Fullerene Acceptors Enables to Boost the Fill Factor Approaching 0.82 in Organic Solar Cells

Author

Zhang, Xuning, primary, Li, Chao, additional, Xu, Jianqiu, additional, Wang, Rui, additional, Song, Jiali, additional, Zhang, Hong, additional, Li, Yanxun, additional, Wu, Guangbao, additional, Zhao, Jin, additional, Li, Xing, additional, Zhang, Yingying, additional, Li, Xiong, additional, Zhang, Jianqi, additional, Zhang, Chunfeng, additional, Zhou, Huiqiong, additional, Sun, Yanming, additional, and Zhang, Yuan, additional

Published
2021
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30. Design and synthesis of pregnenolone/2-cyanoacryloyl conjugates with dual NF-κB inhibitory and anti-proliferative activities

Author

Ricardo Bentes Azevedo, Chao Liu, Song Jiali, Cheng-Shi Jiang, Hua Zhang, Yuying Zhang, Kongkai Zhu, Luis Alexandre Muehlmann, Xigong Liu, Feifei Yang, Juan Zhang, Chang-Liang Liu, Yue-Wei Guo, and João Paulo Figueiró Longo

Subjects
0301 basic medicine, Cell Survival, Clinical Biochemistry, Pharmaceutical Science, Antineoplastic Agents, HL-60 Cells, Pharmacology, Inhibitory postsynaptic potential, Biochemistry, Structure-Activity Relationship, 03 medical and health sciences, chemistry.chemical_compound, 0302 clinical medicine, Cell Line, Tumor, Drug Discovery, medicine, Humans, Luciferase, Cyanoacrylates, Molecular Biology, IC50, Cell Proliferation, Chemistry, Organic Chemistry, NF-kappa B, NF-κB, Blot, 030104 developmental biology, A549 Cells, Cell culture, Drug Design, Pregnenolone, 030220 oncology & carcinogenesis, MCF-7 Cells, Molecular Medicine, Drug Screening Assays, Antitumor, Conjugate, medicine.drug
Abstract

Twenty-five novel pregnenolone/2-cyanoacryloyl conjugates (6-30) were designed and prepared, with the aim of developing novel anticancer drugs with dual NF-κB inhibitory and anti-proliferative activities. Compounds 22 and 27-30 showed inhibition against TNF-α-induced NF-κB activation in luciferase assay, which was confirmed by Western blotting. Among them, compound 30 showed potent NF-κB inhibitory activity (IC50=2.5μM) and anti-proliferative against MCF-7, A549, H157, and HL-60 cell lines (IC50=6.5-36.2μM). The present study indicated that pregnenolone/2-cyanoacryloyl conjugate I can server asa novel scaffold for developing NF-κB inhibitors and anti-proliferative agents in cancer chemotherapy.

Published
2017

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