Rao L - Search Results

1

In silico screening of a novel scaffold for fructose-1,6-bisphosatase (FBPase) inhibitors.

Huang Y, Chi B, Xu Y, Song R, Wei L, Rao L, Feng L, Ren Y, Wan J. Huang Y, et al. Among authors: rao l. J Mol Graph Model. 2019 Jan;86:142-148. doi: 10.1016/j.jmgm.2018.10.017. Epub 2018 Oct 20. J Mol Graph Model. 2019. PMID: 30366190

2

DOX: A new computational protocol for accurate prediction of the protein-ligand binding structures.

Rao L, Chi B, Ren Y, Li Y, Xu X, Wan J. Rao L, et al. J Comput Chem. 2016 Jan 30;37(3):336-44. doi: 10.1002/jcc.24217. Epub 2015 Oct 13. J Comput Chem. 2016. PMID: 26459237

3

Synthesis and biological evaluation of novel inhibitors against 1,3,8-trihydroxynaphthalene reductase from Magnaporthe grisea.

Chen H, Han X, Qin N, Wei L, Yang Y, Rao L, Chi B, Feng L, Ren Y, Wan J. Chen H, et al. Among authors: rao l. Bioorg Med Chem. 2016 Mar 15;24(6):1225-30. doi: 10.1016/j.bmc.2016.01.053. Epub 2016 Jan 29. Bioorg Med Chem. 2016. PMID: 26860927

4

Structure-Based Rational Design of Novel Inhibitors Against Fructose-1,6-Bisphosphate Aldolase from Candida albicans.

Han X, Zhu X, Hong Z, Wei L, Ren Y, Wan F, Zhu S, Peng H, Guo L, Rao L, Feng L, Wan J. Han X, et al. Among authors: rao l. J Chem Inf Model. 2017 Jun 26;57(6):1426-1438. doi: 10.1021/acs.jcim.6b00763. Epub 2017 May 16. J Chem Inf Model. 2017. PMID: 28475320

5

Design, synthesis and algicides activities of thiourea derivatives as the novel scaffold aldolase inhibitors.

Xiao S, Wei L, Hong Z, Rao L, Ren Y, Wan J, Feng L. Xiao S, et al. Among authors: rao l. Bioorg Med Chem. 2019 Mar 1;27(5):805-812. doi: 10.1016/j.bmc.2019.01.023. Epub 2019 Jan 24. Bioorg Med Chem. 2019. PMID: 30711311

6

Conformation Search Across Multiple-Level Potential-Energy Surfaces (CSAMP): A Strategy for Accurate Prediction of Protein-Ligand Binding Structures.

Wei L, Chi B, Ren Y, Rao L, Wu J, Shang H, Liu J, Xiao Y, Ma M, Xu X, Wan J. Wei L, et al. Among authors: rao l. J Chem Theory Comput. 2019 Jul 9;15(7):4264-4279. doi: 10.1021/acs.jctc.8b01150. Epub 2019 Jun 13. J Chem Theory Comput. 2019. PMID: 31142115

7

Discovery of novel allosteric site and covalent inhibitors of FBPase with potent hypoglycemic effects.

Huang Y, Wei L, Han X, Chen H, Ren Y, Xu Y, Song R, Rao L, Su C, Peng C, Feng L, Wan J. Huang Y, et al. Among authors: rao l. Eur J Med Chem. 2019 Dec 15;184:111749. doi: 10.1016/j.ejmech.2019.111749. Epub 2019 Sep 30. Eur J Med Chem. 2019. PMID: 31589992

8

Cov_FB3D: A De Novo Covalent Drug Design Protocol Integrating the BA-SAMP Strategy and Machine-Learning-Based Synthetic Tractability Evaluation.

Wei L, Wen W, Rao L, Huang Y, Lei M, Liu K, Hu S, Song R, Ren Y, Wan J. Wei L, et al. Among authors: rao l. J Chem Inf Model. 2020 Sep 28;60(9):4388-4402. doi: 10.1021/acs.jcim.9b01197. Epub 2020 Apr 9. J Chem Inf Model. 2020. PMID: 32233478

9

Identification of the New Covalent Allosteric Binding Site of Fructose-1,6-bisphosphatase with Disulfiram Derivatives toward Glucose Reduction.

Huang Y, Xu Y, Song R, Ni S, Liu J, Xu Y, Ren Y, Rao L, Wang Y, Wei L, Feng L, Su C, Peng C, Li J, Wan J. Huang Y, et al. Among authors: rao l. J Med Chem. 2020 Jun 11;63(11):6238-6247. doi: 10.1021/acs.jmedchem.0c00699. Epub 2020 May 19. J Med Chem. 2020. PMID: 32375478

10

Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.

Wen W, Cao H, Huang Y, Tu J, Wan C, Wan J, Han X, Chen H, Liu J, Rao L, Su C, Peng C, Sheng C, Ren Y. Wen W, et al. Among authors: rao l. J Med Chem. 2022 Feb 10;65(3):2656-2674. doi: 10.1021/acs.jmedchem.1c02102. Epub 2022 Jan 31. J Med Chem. 2022. PMID: 35099959

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