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Items: 1 to 20 of 32

1.

Self-Learning Perfect Optical Chirality via a Deep Neural Network.

Li Y, Xu Y, Jiang M, Li B, Han T, Chi C, Lin F, Shen B, Zhu X, Lai L, Fang Z.

Phys Rev Lett. 2019 Nov 22;123(21):213902. doi: 10.1103/PhysRevLett.123.213902.

PMID:
31809151
2.

A Bulky Chiral N-Heterocyclic Carbene Palladium Catalyst Enables Highly Enantioselective Suzuki-Miyaura Cross-Coupling Reactions for the Synthesis of Biaryl Atropisomers.

Shen D, Xu Y, Shi SL.

J Am Chem Soc. 2019 Sep 18;141(37):14938-14945. doi: 10.1021/jacs.9b08578. Epub 2019 Sep 6.

PMID:
31460761
3.

High Co-loading Capacity and Stimuli-Responsive Release Based on Cascade Reaction of Self-Destructive Polymer for Improved Chemo-Photodynamic Therapy.

Wang M, Zhai Y, Ye H, Lv Q, Sun B, Luo C, Jiang Q, Zhang H, Xu Y, Jing Y, Huang L, Sun J, He Z.

ACS Nano. 2019 Jun 25;13(6):7010-7023. doi: 10.1021/acsnano.9b02096. Epub 2019 Jun 12.

PMID:
31188559
4.

Base-catalysed reductive relay hydroboration of allylic alcohols with pinacolborane to form alkylboronic esters.

Wang ZC, Shen D, Gao J, Jia X, Xu Y, Shi SL.

Chem Commun (Camb). 2019 Jul 23;55(60):8848-8851. doi: 10.1039/c9cc03459e.

PMID:
31173003
5.

Selective synthesis of 3-deoxy-5-hydroxy-1-amino-carbasugars as potential α-glucosidase inhibitors.

Jiang C, Liu Q, Liu J, Liu K, Tian L, Duan M, Wang Y, Shen Z, Xu Y.

Org Biomol Chem. 2019 May 29;17(21):5381-5391. doi: 10.1039/c9ob00762h.

PMID:
31107491
6.

Deep learning for molecular generation.

Xu Y, Lin K, Wang S, Wang L, Cai C, Song C, Lai L, Pei J.

Future Med Chem. 2019 Mar;11(6):567-597. doi: 10.4155/fmc-2018-0358. Epub 2019 Jan 30.

PMID:
30698019
7.

The synthesis of 4-arylamido-2-arylaminoprimidines as potent EGFR T790M/L858R inhibitors for NSCLC.

Chen L, Chi F, Wang T, Wang N, Li W, Liu K, Shu X, Ma X, Xu Y.

Bioorg Med Chem. 2018 Dec 15;26(23-24):6087-6095. doi: 10.1016/j.bmc.2018.11.009. Epub 2018 Nov 10.

PMID:
30471829
8.

Improving the oral bioavailability of tapentadol via a carbamate prodrug approach: synthesis, bioactivation, and pharmacokinetics.

Li Y, Wang Y, Zhang R, Liu C, Wei Y, Sun J, He Z, Xu Y, Zhang T.

Drug Deliv Transl Res. 2018 Oct;8(5):1335-1344. doi: 10.1007/s13346-018-0524-6.

PMID:
29777509
9.

Prediction of Human Cytochrome P450 Inhibition Using a Multitask Deep Autoencoder Neural Network.

Li X, Xu Y, Lai L, Pei J.

Mol Pharm. 2018 Oct 1;15(10):4336-4345. doi: 10.1021/acs.molpharmaceut.8b00110. Epub 2018 May 30.

PMID:
29775322
10.

CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction.

Xu Y, Wang S, Hu Q, Gao S, Ma X, Zhang W, Shen Y, Chen F, Lai L, Pei J.

Nucleic Acids Res. 2018 Jul 2;46(W1):W374-W379. doi: 10.1093/nar/gky380.

11.

Synthesis of a Novel Series of Amino Acid Prodrugs Based on Thienopyridine Scaffolds and Evaluation of Their Antiplatelet Activity.

Lu N, Li L, Zheng X, Zhang S, Li Y, Yuan J, Wei Q, Xu Y, Meng F.

Molecules. 2018 Apr 28;23(5). pii: E1041. doi: 10.3390/molecules23051041.

12.

Prostate-Specific Membrane Antigen Targeted Therapy of Prostate Cancer Using a DUPA-Paclitaxel Conjugate.

Lv Q, Yang J, Zhang R, Yang Z, Yang Z, Wang Y, Xu Y, He Z.

Mol Pharm. 2018 May 7;15(5):1842-1852. doi: 10.1021/acs.molpharmaceut.8b00026. Epub 2018 Apr 5.

PMID:
29608845
13.

Bioresponsive albumin-conjugated paclitaxel prodrugs for cancer therapy.

Yang J, Lv Q, Wei W, Yang Z, Dong J, Zhang R, Kan Q, He Z, Xu Y.

Drug Deliv. 2018 Nov;25(1):807-814. doi: 10.1080/10717544.2018.1451935.

14.

Deep Learning Based Regression and Multiclass Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction.

Xu Y, Pei J, Lai L.

J Chem Inf Model. 2017 Nov 27;57(11):2672-2685. doi: 10.1021/acs.jcim.7b00244. Epub 2017 Oct 27.

PMID:
29019671
15.

NF-κB signaling and cell-fate decision induced by a fast-dissociating tumor necrosis factor mutant.

Zhang X, Yin N, Guo A, Zhang Q, Zhang Y, Xu Y, Liu H, Tang B, Lai L.

Biochem Biophys Res Commun. 2017 Jul 29;489(3):287-292. doi: 10.1016/j.bbrc.2017.05.149. Epub 2017 May 26.

PMID:
28554843
16.

An improvement of separation and response applying post-column compensation and one-step acetone protein precipitation for the determination of coenzyme Q10 in rat plasma by SFC-MS/MS.

Yang R, Li Y, Liu C, Xu Y, Zhao L, Zhang T.

J Chromatogr B Analyt Technol Biomed Life Sci. 2016 Sep 15;1031:221-226. doi: 10.1016/j.jchromb.2016.07.050. Epub 2016 Jul 28.

PMID:
27507667
17.

Role of Metabolic Activation in 8-Epidiosbulbin E Acetate-Induced Liver Injury: Mechanism of Action of the Hepatotoxic Furanoid.

Lin D, Li W, Peng Y, Jiang C, Xu Y, Gao H, Zheng J.

Chem Res Toxicol. 2016 Mar 21;29(3):359-66. doi: 10.1021/acs.chemrestox.5b00501. Epub 2016 Feb 29.

PMID:
26886724
18.

Comparisons of Prostate Cancer Inhibitors Abiraterone and TOK-001 Binding with CYP17A1 through Molecular Dynamics.

Xiao F, Yang M, Xu Y, Vongsangnak W.

Comput Struct Biotechnol J. 2015 Nov 4;13:520-7. doi: 10.1016/j.csbj.2015.10.001. eCollection 2015.

19.

Deep Learning for Drug-Induced Liver Injury.

Xu Y, Dai Z, Chen F, Gao S, Pei J, Lai L.

J Chem Inf Model. 2015 Oct 26;55(10):2085-93. doi: 10.1021/acs.jcim.5b00238. Epub 2015 Oct 13.

PMID:
26437739
20.

Metabolic activation of furan moiety makes Diosbulbin B hepatotoxic.

Li W, Lin D, Gao H, Xu Y, Meng D, Smith CV, Peng Y, Zheng J.

Arch Toxicol. 2016 Apr;90(4):863-72. doi: 10.1007/s00204-015-1495-8. Epub 2015 Apr 8.

PMID:
25851819

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