报 告 人：Dr. Fang, Yayin
报告题目：中药丹参抗癌机理研究
报告时间：2017年6月1日上午9:00
报告地点：省药用植物生物技术重点实验室103会议室
主办单位：江苏省药食植物生物技术国家重点实验室培育点、生命科学学院、
科技处
报告人简介：
A.Personal Statement
I have been working in the field of theoretical study on interactions between small molecules with their targets for more than a decade. The computational methods I have used include all kinds of available molecular modeling methods but my particular area of expertise lies studies on ligand-target interaction energy by using molecular mechanisms (MM) and Quantum Mechanism (QM) and the studies on the dynamic changes of those interactions by using molecular dynamics simulation (MD). The ligand-target systems I studied cover different kind of low molecular weight compounds interacting with macro molecules, polymers, nucleic acid and proteins. The results of my research has been published in various peer-reviewed scientific journals, including Journal of the American Chemical Society(JACS), Proceedings of the National Academy of Sciences of the United States of America(PNAS), Bioorganic & Medicinal Chemistry(BMC), Journal of Molecular Structure THEOCHEMand et al. In addition,I am the first or corresponding author in 16 of the 29 research publications, which demonstrate my key role in the research and my significant individual contributions to the field.
As Co-investigatorof this proposed research, I will be the leader of the proposed research work on Amino Acid-Based Macromolecular Assemblies(AABMS), including develop and design the computational protocol for binding site prediction and ligand docking study in different condition and pH.Binding site prediction and ligand docking will be used to identify potential chiral analyte binding sites in poly-SULV and to characterize the AABMS:analyte intermolecular interactions experienced when binapthylphosphate and the β-blockers propranolol and atenolol bind to this AABMA. The methods will also be used to identify potential chiral analyte binding sites in the AABMAs selected in our proposal along with AABMA:analyte intermolecular interactions to begin the work of developing the QSPR database.MD simulations on the generated AAMBS and the complex of the ligand bound in the AABMS will be performed as well.
B.Positions and Honors
2016 – PresentAssociate Professor Department of Biochemistry, College of Medicine, Howard University, Washington, DC
2012 – 2016Assistant Professor Department of Biochemistry, College of Medicine, Howard University, Washington, DC
2007 – 2012Assistant Research Professor(a non-tenure track position, WOC) Department of Biochemistry, College of Medicine, Howard University, Washington, DC
2005 – 2006Research Associate Research Center of Minority Institute (RCMI), College of Medicine, Howard University Washington, DC
2004 - 2005Visiting Research Associate Center for Computational Biology and Bioinformatics (CCBB), Indiana University School of Medicine, Indianapolis, Indiana
2001 - 2003 Postdoctoral Fellow Department of Chemistry & Chemical Biology, Purdue School of Science, Indiana University Purdue University Indianapolis (IUPUI), Indianapolis, Indiana
2000 - 2001Professor Department of Chemistry, Xuzhou Normal University, Xuzhou, Jiangsu Province, China.
C. Selected Peer-reviewed Publications
1.Charles O. Ogindo, Mozna H. Khraiwesh, Matthew George, Jr., Yakini Brandy, Nailah Brandy, AyeleGugssa, Mohammad Ashraf, Muneer Abbas, William M. Southerland, Clarence M. Lee, OladapoBakare and Yayin Fang. “Novel Drug Design for Chagas Disease via Targeting Trypanosomacruzi Tubulin: Homology Modeling and Binding Pocket Prediction on Trypanosomacruzi Tubulin Polymerization Inhibition by Naphthoquinone Derivatives.” Bioorganic and Medicinal Chemistry, 2016, 24, 3849 -3855.
2.Kevin F. Morris, Eugene J. Billiot, Fereshteh H. Billiot, Kenny B. Lipkowitz, William M. Southerland, Yayin Fang, Molecular Dynamics Simulation and NMR Investigation of the Association of the β-Blockers Atenolol and Propranolol with a Chiral Molecular Micelle. , 2015, Chemical Physics, 457,133-146.
3.Kevin F. Morris, Eugene J. Billiot, Fereshteh H. Billiot, Kenny B. Lipkowitz, William M. Southerland, Yayin Fang, A Molecular Dynamics Simulation Study of the Association of 1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate Enantiomers with a Chiral Molecular Micelle., 2014, Chemical Physics, 439, 36-43
4.Mark A. Lewis, Katie M. Williams, Yayin Fang, Franklin A. Schultz, Eric C. Long. DNA Cleaving “Tandem-Array” Metallopeptides Activated With KHSO5: Towards the Development of Multi-Metallated Bioactive Conjugates and Compounds 2014,Current Bioactive Compounds.10, 13-20
5.Kevin F. Morris, Eugene J. Billiot, Fereshteh H. Billiot, Kenny B. Lipkowitz, William M. Southerland, Yayin Fang, A Molecular Dynamics Simulation Study of Two Dipeptide Based Molecular Micelles: Effect of Amino Acid Order , 2013, Open Journal of Physical Chemistry, 3, 20-29
6.Kevin. F. Morris, Eugene. J. Billiot, Fereshteh. H. Billiot, Kenny. B. Lipkowitz, William. M. Southerland, and Yayin Fang. Investigation of Chiral Molecular Micelles by NMR Spectroscopy and Molecular Dynamics Simulation. 2012, Open Journal of Physical Chemistry, 2, 240-251.
7.Yuan Zhao, YubinHao, HongguangJi, YayinFang, YinhanGuo, Wei Sha,XiaowuPang, William M. Southerland, Joseph A. Califano, XinbinGu. Combination Effects of Salvianolic Acid B with Low Dose Celecoxib on Inhibition of Head and Neck Squamous Cell Carcinoma Growth in vitro and in vivo.Cancer Prevention Research. 2010, 3:787-96. PMC2881190
8.Eric C. Long, Yayin Fang, Mark A. Lewis. DNA Minor Groove Recognition by Ni(II)• and Cu(II)•Gly-Gly-His Derived Metallopeptides Models of Protein and Natural Product DNA Recognition. Bioinorganic Chemistry, Chapter 14, 2009, pp 219-241, ACS Symposium Series, Volume 1012, Publication Date (Print): May 21, 2009 (Chapter)
9.Patrice L. Jackson, K.R. Scott, William M. Southerland, Yayin Fang. Enaminones 8:CoMFA and CoMSIA studies on some anticonvulsant enaminones.Bioorganic & Medicinal Chemistry.2009, 17:133-40.NIHMS86019
10.Hirokazu Hamada, Yuko Abe, Ryoichi Nagane, Yayin Fang, Mark A. Lewis, Eric C. Long, Makoto Chikir. DNA-fiber EPR investigation of the influence of amino-terminal 3 residue stereochemistry on the DNA binding orientation of Cu(II) •Gly-Gly-His-derived metallopeptides.Journal of Inorganic Biochemistry. 2007,101:1529-36.PMCID: PMC2140950
11.Yayin Fang, Craig A. Claussen, Kenny B. Lipkowitz, Eric C. Long. Diastereoselective DNA Cleavage Recognition by Ni(II)•Gly-Gly-His DerivedMetallopeptides.Journal of the American Chemical Society. 2006, 128(2):3198–207.PMCID: PMC2538425
12.Yayin Fang, Kenny B. Lipkowitz, Eric C. Long. Molecular Dynamics Simulations of the Orientation of Ni(II)Gly-Gly-His and Ni(II)Arg-Gly-His Metallopeptide-DNA Association.Journal of Chemical Theory and Calculation.2006, 2(5):1453-63.PMID: 15113212
13.Pedro R. Romero,Saima Zaidi,Yayin Fang, Vladimir N. Uversky,PredragRadivojac, Christopher J. Oldfield, Marc S. Cortese, Megan Sickmeier, Tanguy LeGall, Zoran Obradovic, A. Keith Dunker. Alternative splicing in concert with protein intrinsic disorder enables increased functional diversity in multicellular organisms.Proceedings of the NationalAcademy of Sciences of the United States of America. 2006,103(22):8390-5. PMCID: PMC1482503
14.Yayin Fang, Bruce D. Ray, Craig A. Claussen, Kenny B. Lipkowitz, Eric C. Long.“Ni(II)•Gly-Gly-His Derived Metallopeptide-DNA Interactions: Structural Characterization of Minor Groove Binding and Recognition.Journal of the American Chemical Society. 2004, 126(17):5403-12.PMID: 15113212
15.Jie Liu, YayinFang, Zheng-Ming Li, Cheng-Ming Lai. AM1 study of catalytic hydrogenation of 3 – anilinomethylidene – 6 – aryl - 5, 6 - 2H – dihydropyran - 2, 4 –diones.Journal of Molecular Structure, THEOCHEM. 2000,532:103-107.
D.Research Support
1. Ongoing Research Support
•HUMAA Endowed Founder’s Chair in the Basic Sciences Award. $245,611.36. October 15, 2015 – October 15, 2018, Role: Endowed Founder’s Co-Chair.
•“Examination of Molecular Recognition of Amino Acid Based Macromolecular Assemblies.” The Office of Naval Research. PI: Yayin Fang. $75.015, 11/01/2016 to 12/31/2017. Role: Principle Investigator.
•“Pharmacophore Studies and Organic Synthesis of Small Molecules for Curing Chagas Disease”. “HU ADVANCE IT: WOMEN OF COLOR FACULTY IN STEM AS CHANGE AGENTS” The Howard University HU ADVANCE-IT Mini Grant. PI: Yayin Fang. $10,000.00. May 1, 2016 – April 30, 2017. Role: Principle Investigator.
•The Center for Computational Biology & Bioinformatics component of the Howard University Research Centers in Minority Institutions PI: William M. Southerland; Grant Proposal, $10,249,720, September 2014 – June 2019. Role: Co-director.
•“Humanized EGFR and EGFRVLLL-Bispecific Immunotoxin for HNSCC Therapy.” 1R15DE025138-01(NIH/NIDCR). PI: Liang Shan. $452,911. August 15, 2015 – July 31, 2018. Role: Consultant.
•“Development of a Multispecific Recombinant Immunotoxin for Cancer Therapy.” The Howard University RCMI-P3 grant. PI: Liang Shan. $99,926. April 1, 2015 - March 331, 2017. Role: Consultant.
2. Completed Research Support
•The Howard University HU ADVANCE-IT Mini Grant. PI: Yayin Fang. $14,887.00. October 1, 2014 - September 30, 2015. Roles: Principle Investigator.
•U400040The Howard University Bridge Funds and Pilot Study Awards Program (BFPSAP)
Yayin Fang (PI) $24,397.0011/01/2012 - 10/31/2013
Role: Principle Investigator.
•U54RR022762 NIH/NCRR Qiyi Tang (PI) 09/01/2010 - 08/31/2011
Epigenetic studies of Kaposi’s Sarcoma-associated Herpesvirus (KSHV).
This proposal aims to elucidate the mechanisms of KSHV reactivation.
Role: Co-Investigator.
•G12 RR003048NIH/NCRRRobert Tylor (PI) 07/01/2008 - 05/31/2009
Computational Biology, Bioinformatics, Imaging& Proteomics research of the NIH-funded Howard University Research Centers in Minority Institutions Grant, (Agency Bridge Support)
Role:Computational Research Scientist
•The National Terabyte Data Analysis Center (NTDAC), Clay Gloster, Yayin Fang, and William Southerland, 7/15/ 2007-6/31/2010. $150,000,
Role: Co-Investigator.
•G12 RR003048NIH/NCRRRobert Tylor (PI) 07/01/2003 - 05/31/2008
The Laboratory of Molecular Computations and Bioinformatics of the NIH-funded Howard University Research Centers in Minority Institutions Grant
Role:Research associate
