Xuwei Shao

Fresh Meadows, New York

516-***-**** adeai5@r.postjobfree.com

Summary

A self-motivated scientist having exhibited ability in independent learning, team work and trouble shooting. Expertise in chemistry, biochemistry and pharmacology. Experience in small molecule synthesis, characterization and biological evaluation. Hands-on variety of biological experiments including transformation, in vitro enzymatic inhibitory analysis, and in vivo dose response analysis. Education

St. John’s University, Queens, NY, USA

Ph.D. in Pharmaceutical Sciences Aug 2016 – May 2020 Topic of Thesis: Chemical Space Exploration Around Thieno[3,2-d]pyrimidin-4(3H)- one Scaffold led to a Novel Class of Highly Active Clostridium difficile Inhibitors M.S. in Pharmaceutical Sciences Sep 2013 – June 2016 Topic of Thesis: Structure-Activity Relationship Study of a New Class of 2,3- dihydrobenzodioxine-5-carboxamides as Poly(ADP-ribose)polymerase-1 Inhibitors Qingdao University, Qingdao, Shandong, China

Bachelors in Applied Chemistry Sep 2005 – June 2009 Topic of Thesis: Evaluation of copper and zinc levels in hair of autistic children by flame atomic absorption.

Areas of expertise

Medicinal Chemistry: Designed synthetic strategy, executed synthesis, performed purification and provided complete characterization for more than 100 target compounds involved in multiple projects (oncology and epidemiology). Small molecule characterization: LCMS equipped with Mass hunter (Agilent), HRMS equipped with Xevo QTOF (Waters), GCMS (Agilent), 1D NMR (1H and 13C), 2D NMR (COSY, HSQC and HMBC), IR, analytical HPLC (Agilent and Waters), preparative HPLC (Agilent), enantiomeric excess analysis. Molecular Modeling: Understanding interactions between small molecules and protein using Schrödinger.

Biology: In vitro Enzymatic assay (PARP inhibition), transformation, ELISA, DNA gel electrophoresis, SDS protein analysis, MTT cell availability assay and In vivo drug effect on mouse (drug-drug interaction).

Research experience

• Study of highly active and selective inhibitors for the treatment of Clostridium difficile infections (CDI). (Published) Medicinal chemistry lab in St. John's University, Queens, NY (PI: Dr. Tanaji.Talele) Project detail: A scaffold with small molecular weight was investigated to improve drug features, including potency, efficacy towards resistant strains, water solubility and in vivo activity. The project was preceded under collaboration with a microbiologist (Dr. Seleem) from Purdue University.

Skills employed: Purity of all target compounds was confirmed with HPLC, including method development and data validation. Newly made molecules were characterized by the combination of LCMS, NMR, and HRMS.

• Development of Poly(ADP-ribose)polymerase (PARP) inhibitors for the treatment of cancer. (one manuscript published and one manuscript under review)

Medicinal chemistry lab in St. John's University, Queens, NY (PI: Dr. Tanaji.Talele) Project detail: A dihydrobenzodioxine amide scaffold was identified as hit from high through-put virtual screening, and a structure-based optimization was performed to achieve better activity against PARP enzyme, higher selectivity and desirable ADME and PK properties.

Skills employed: Purity of all target compounds was confirmed with HPLC, including method development and data validation. Newly made molecules were characterized by the combination of LCMS, NMR, and HRMS. Enantiomeric excess was obtained with the help of HPLC equipped with amino acid chiral columns. Work Experience

Doctoral Research Fellow

St. John's University, Queens, NY (Apr. 2014 – May 2020)

• Working in multiple projects related small molecules on various targets of oncology and epidemiology, starting from hits identification by HTS, to lead modification, PK suitability-oriented optimization, and pre-clinical evaluation. Teaching Fellowship

St. John's University, Queens, NY (Jan. 2017 – May 2020)

• Conducting Biomedical labs for Pharm.D. students. Responsibilities include conveying information, organizing labs, and carrying out examinations. Teaching Assistant

St. John's University, Queens, NY (Sep. 2014 – Dec. 2016) Educational department manager

Goldenstone Educational Company, Qingdao, China (Nov. 2010 – Oct. 2012)

• Responsibilities include training of teachers, schedule management, strategy design based on timely goal of the department, distribution of assignment and summarizing working progress.

Awards

The Dr. Amrit Kapoor Medicinal Chemistry Endowed Memorial Award St. John's University, Queens, NY (Dec. 2019)

Publication

• Synthesis of 2,3-dihydrobenzo[b][1,4]dioxine-5-carboxamide and 3,4- dihydrobenzo[b][1,4]oxazine-8-carboxamide derivatives as PARP-1 inhibitors

(under-review in Bioorganic Chemistry)

• Shao, X.; AbdelKhalek, A.; Abutaleb, N. S.; Velagapudi, U. K.; Yoganathan, S.; Seleem, M. N.; Talele, T. T. Chemical Space Exploration around Thieno3,2- d]pyrimidin-4(3H)-one Scaffold Led to a Novel Class of Highly Active Clostridium difficile Inhibitors. J. Med. Chem. 2019, 62, 9772-9791.

• Velagapudi, U. K.; Langelier, M.; Delgado-Martin, C.; Diolaiti, M. E.; Bakker, S.; Ashworth, A.; Patel, B. A.; Shao, X.; Pascal, J. M.; Talele, T. T. Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7- carboxamide on Potency and Selectivity. J. Med. Chem. 2019, 62, 5330-5357.

• Shao, X.; Pak, S.; Patel, B. A.; Velagapudi, U. K.; Talele, T. T. Identification and optimization of 2,3-dihydrobenzo[b][1,4]dioxine-5-carboxamide as PARP-1 inhibitors. Abstracts of Papers, 250th ACS National Meeting & Exposition, Boston, MA, United States, August 16-20, 2015, MEDI-398.