舒茂

个人简介

舒茂,副教授,硕士生导师。2004.09-2006.06,获重庆大学药物化学专业硕士学位;2006.09-2009.06,获得重庆大学生物医学工程专业博士学位。2009.07-,重庆理工大学药学与生物工程学院教师,2013。12-2014.12,美国国家毒理中心(NCTR/FDA)访问学者。在国内外重要刊物如AminoAcids等发表论文30篇,发表论文共被他人引用200余次;授权专利1件;编写著作1部。获得2010年重庆市优秀博士论文奖奖1项。

研究领域

多肽药物;药物设计与活性评价

承担的主要项目

[1]基于非蛋白氨基酸的小分子抗菌肽设计合成及生物效应研究,国家自然科学基金面上项目,2012.1-2015.12,60万,主持。

[2] HPV16型E7抗原CTL表位模拟肽抗HPV感染的实验研究,国家自然科学基金面上项目,2012.1-2015.12,58万,参与。

代表性成果

[1] Wang J,Shu M, Wen XR, Wang YL, Wang YQ, Hu Y, Lin ZH:Discovery of vascular endothelial growth factor receptor tyrosine kinaseinhibitors by quantitative structure-activity relationships, molecular dynamicssimulation and free energy calculation.Rsc Advances2016,6(42):35402-35415.

[2] Shu M, ZaiXL, Zhang BN, Wang R, Lin ZH: Hypothyroidism Side Effect in Patients Treatedwith Sunitinib or Sorafenib: Clinical and Structural Analyses.Plos One2016,11(1).

[3] ZhangWQ, Ng HW,Shu M, Luo H, Su ZQ, Ge WG, Perkins R, Tong WD, Hong HX: Comparinggenetic variants detected in the 1000 genomes project with SNPs determined bythe International HapMap Consortium.Journal of Genetics2015,94(4):731-740.

[4] Yu R,Wang J, Wang R, Lin Y, Hu Y, Wang YQ,Shu M, Lin ZH: CombinedPharmacophore Modeling, 3D-QSAR, Homology Modeling and Docking Studies onCYP11B1 Inhibitors.Molecules2015, 20(1):1014-1030.

[5] WangYQ, Zhou PP, Lin Y,Shu M, Hu Y, Xia QY, Lin ZH: Quantitative Predictionof Class I MHC/Epitope Binding Affinity Using QSAR Modeling Derived from AminoAcid Structural Information.Combinatorial Chemistry & High ThroughputScreening2015, 18(1):75-82.

[6] WangJ,Shu M, Lin Y, Hu Y, Han YZ, Lin ZH: HPV16 E7 CTL Epitope AntigenPeptide Design and Activity Evaluation.Progress in Biochemistry andBiophysics2015, 42(12):1119-1127.

[7] NgHW,Shu M, Luo H, Ye H, Ge WG, Perkins R, Tong WD, Hong HX: EstrogenicActivity Data Extraction and in Silico Prediction Show the Endocrine DisruptionPotential of Bisphenol A Replacement Compounds.Chemical Research inToxicology2015, 28(9):1784-1795.

[8] LuoH, Du TT, Zhou P, Yang L, Mei H, Ng HW, Zhang WQ,Shu M, Tong WD, Shi LMet al: Molecular Docking to Identify Associations Between Drugs and Class IHuman Leukocyte Antigens for Predicting Idiosyncratic Drug Reactions.CombinatorialChemistry & High Throughput Screening2015, 18(3):296-304.

[9] ZhangWQ, Meehan J, Su ZQ, Ng HW,Shu M, Luo H, Ge WG, Perkins R, Tong WD,Hong HX: Whole genome sequencing of 35 individuals provides insights into thegenetic architecture of Korean population.Bmc Bioinformatics2014, 15.

[10] NgHW, Zhang WQ,Shu M, Luo H, Ge WG, Perkins R, Tong WD, Hong HX:Competitive molecular docking approach for predicting estrogen receptor subtypealpha agonists and antagonists.Bmc Bioinformatics2014, 15.

[11] LiXR,Shu M,Wang YQ, Yu R, Yao S, Lin ZH: 3D-QSAR Analysis on ATR ProteinKinase Inhibitors Using CoMFA and CoMSIA.Current Computer-Aided Drug Design2014, 10(4):327-334.

[12] YangWJ,Shu M, Wang YQ, Wang R, Hu Y, Meng LX, Lin ZH: 3D-QSAR and dockingstudies of 3-Pyridine heterocyclic derivatives as potent PI3K/mTOR inhibitors.Journalof Molecular Structure2013, 1054:107-116.

[13] WangYQ, Lin Y,Shu M, Wang R, Hu Y, Lin ZH: Proteasomal cleavage siteprediction of protein antigen using BP neural network based on a new set of aminoacid descriptor.Journal of Molecular Modeling2013, 19(8):3045-3052.

[14] TanW, Mei H, Chao L, Liu TF, Pan XC,Shu M, Yang L: Combined QSAR andmolecule docking studies on predicting P-glycoprotein inhibitors.Journal ofComputer-Aided Molecular Design2013, 27(12):1067-1073.

[15] Shu M, YuR, Zhang YR, Wang J, Yang L, Wang L, Lin ZH: Predicting the Activity ofAntimicrobial Peptides with Amino Acid Topological Information.MedicinalChemistry2013, 9(1):32-44.

[16] JiYJ,Shu M, Lin Y, Wang YQ, Wang R, Hu Y, Lin ZH: Combined 3D-QSARmodeling and molecular docking study on azacycles CCR5 antagonists.Journalof Molecular Structure2013, 1045:35-41.

[17] Shu M,Zhang YR, Tian FF, Yang L, Lin ZH: Molecular Docking and 3D-QSAR Research ofBiphenyl Carboxylic Acid MMP-3 Inhibitors.Chinese Journal of StructuralChemistry2012, 31(3):443-451.

[18] LuoXY,Shu M, Wang YQ, Liu J, Yang WJ, Lin ZH: 3D-QSAR Studies ofDihydropyrazole and Dihydropyrrole Derivatives as Inhibitors of Human MitoticKinesin Eg5 Based on Molecular Docking.Molecules2012, 17(2):2015-2029.

[19] WangXY, Wang J, Hu Y, Lin Y,Shu M, Wang L, Cheng XM, Lin ZH: Predicting theActivity of Peptides Based on Amino Acid Information.Journal of the ChineseChemical Society2011, 58(7):877-883.

[20] WangJ, Wang XY,Shu M, Wang YQ, Lin Y, Wang L, Cheng XM, Lin ZH: QSAR Studyon MHC Class I A Alleles Based on the Novel Parameters of Amino Acids.Proteinand Peptide Letters2011, 18(9):956-963.

[21] Shu M, LinZH, Zhang YR, Wu YQ, Mei H, Jiang YJ: Molecular dynamics simulation of oseltamivirresistance in neuraminidase of avian influenza H5N1 virus.Journal ofMolecular Modeling2011, 17(3):587-592.

[22] Shu M,Cheng XM, Zhang YR, Wang YQ, Lin Y, Wang L, Lin ZH: Predicting the Activity ofACE Inhibitory Peptides with a Novel Mode of Pseudo Amino Acid Composition.Proteinand Peptide Letters2011, 18(12):1233-1243.

[23] LinY, Long HX, Wang J,Shu M, Wang YQ, Wang L, Lin ZH: QSAR Study on InsectNeuropeptide Potencies Based on a Novel Set of Parameters of Amino Acids byUsing OSC-PLS Method.International Journal of Peptide Research andTherapeutics2011, 17(3):201-208.

[24] DingYA, Lin Y,Shu M, Wang YQ, Wang L, Cheng XM, Lin ZH: QuantitativeStructure-Activity Relationship Model for Prediction of Protein-PeptideInteraction Binding Affinities between Human Amphiphysin-1 SH3 Domains andTheir Peptide Ligands.International Journal of Peptide Research andTherapeutics2011, 17(1):75-79.

[25] YangL,Shu M, Ma KW, Mei H, Jiang YJ, Li ZL: ST-scale as a novel amino aciddescriptor and its application in QSAM of peptides and analogues.AminoAcids2010, 38(3):805-816.

[26] CaiJF, Ou RY, Xu YS, Yang L, Lin ZH,Shu M: Modeling and predictinginteractions between the human amphiphysin SH3 domains and their peptideligands based on amino acid information.Journal of Peptide Science2010,16(11):627-632.

[27] ZhuWP, Yang SB, Liao LM, Tan C,Shu M: Structural Characterization ofVolatile Components of Rosa Banksiae Ait for Estimation and Prediction of TheirLinear Retention Indices and Retention Times.Chinese Journal of StructuralChemistry2009, 28(4):391-396.

[28] Shu M, MeiH, Yang SB, Liao LM, Li ZL: Structural Parameter Characterization andBioactivity Simulation Based on Peptide Sequence.Qsar & CombinatorialScience2009, 28(1):27-35.

[29] Shu M,Jiang YJ, Yang L, Wu YQ, Mei H, Li ZL: Application of 'HESH' Descriptors forthe Structure-Activity Relationships of Antimicrobial Peptides.Protein andPeptide Letters2009, 16(2):143-149.

[30] 舒茂,林治华,杨力。蛋白质多肽序列表征方法及其应用。西南交通大学出版社,2010年。