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4-6 years
6-10 years
10-15 years
More than 15 years
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研究助理 Research Assistant @中國醫藥大學附設醫院 China Medical University Hospital2010 ~ Present
・
生物科技研發人員、醫藥研發人員、生物學專業與研究人員、助理研究人員、研究助理
More than one year
以提高藥物研發速度和效率。 Taichung, North District, Taichung City, Taiwan https://orcid.org/學歷高雄醫學大學 生物醫學暨環境生物碩士班 計算生物學- Computational biology高雄醫學大學 生物醫學暨環境生物學系 生物醫學-Biomedical sciences 工作經歷 八月現在 研究助理 Research Assistant -中國醫藥大學附設醫院 China
Employed
Full-time / Interested in working remotely
10-15 years
高雄醫學大學 生物醫學暨環境生物碩士班
・
計算生物學- Computational biology
Postdoctoral Researcher @Research Center for Applied Sciences (RCAS), Academia Sinica, Taiwan2023 ~ Present
・
Research And Development Engineer
Within one month
in Vienna Ab-initio Simulation Package (VASP) of lithium intercalation in anode material in Li-ion battery, - to explore the difference in capacity between different variations of anode material (in progress); * all calculations carried out on Taiwania I, II and III supercomputers; * National Science and Technology Council (NSTC) postdoctoral fellowship --- @ Computational Nanomaterials & Nanomechanics Lab Doctoral Candidate • Research Center for Applied Sciences (RCAS), Academia Sinica, Taipei, Taiwan AugustFebruary 2023 • Developed a Grand Canonical Monte Carlo (GCMC) 2D perovskite crystal growth simulation code in Python programming language, employing the machine-learned potential, leveraging PyLammps library as an interface ...
Employed
・
Open to opportunities
Full-time / Interested in working remotely
4-6 years
National Tsing Hua University
・
Chemistry (1st Major) & Physics (2nd Major) @ Department of Engineering and System Science
Aerodynamic Engineer, CFD Engineer, Methods and Tools Developer
More than one year
Full-time / Interested in working remotely
6-10 years
Indian Institute of Technology
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Ability to navigate unexpected situations; and keep up with shifting priorities, projects, clients, and technology.
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Leadership
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More than one year
Research Assistant
中國醫藥大學附設醫院 China Medical University Hospital
・
2010 ~ Present
Professional Background
Current status
Employed
Job Search Progress
Professions
Biotechnology Researcher, Pharmaceutical Analytical Chemist, Data Analyst
Fields of Employment
Information Services, Pharmaceutical / Biotech, EdTech
Work experience
10-15 years
Management
None
Skills
Languages
English
・
Fluent
Chinese
・
Native or Bilingual
Job search preferences
Positions
生物科技研發人員、醫藥研發人員、生物學專業與研究人員、助理研究人員、研究助理
Job types
Full-time
Locations
台灣台北市, 台灣新北市, 台灣桃園市桃園區桃園
Remote
Interested in working remotely
Freelance
Yes, I freelance in my spare time
Educations
School
高雄醫學大學 生物醫學暨環境生物碩士班
Major
計算生物學- Computational biology
陳冠宇
您好! 我擅長電腦輔助藥物篩選與設計，憑藉我在生物、化學和資訊科學領域的背景知識和豐富的專業技能和經驗，能夠快速、精確地進行藥物篩選和分析，並使用系統性的方法找出具有藥效活性的小分子。此外，我能夠運用物化特徵和藥理活性預測分析來進一步優化分子結構，提高藥物研發成功率，並增加老藥新用的可能性。我同時擅長評估小分子的活化能和化學合成可行性，以提高藥物研發速度和效率。
Taichung, North District, Taichung City, Taiwan https://orcid.org/0000-0002-2773-8748
學歷
2006 - 2008
高雄醫學大學 生物醫學暨環境生物碩士班
計算生物學- Computational biology
2002 - 2006
高雄醫學大學 生物醫學暨環境生物學系
生物醫學-Biomedical sciences
工作經歷
八月 2010 - 現在
九月 2009 - 八月 2010
研究助理 Research Assistant
-高雄醫學大學 Kaohsiung Medical University
1. 電腦輔助藥物篩選&設計;
2. 研究計畫執行及論文撰寫，發表2篇學術論文;
3. 網路、電腦及週邊設備運作維護及排錯;
4. 其它行政工作。
自傳
【關於我】
我是新北市人，為人真誠，做事認真，有效率地完成任務是我的信念。
我在求學的過程中，跨足了生物、化學與資訊科學等領域，建立了豐富的相關知識和技能，進而成為領域間的溝通橋樑，具有整合新藥開發工作的能力。現今，電腦輔助藥物設計已是新藥開發中非常重要的步驟，不僅可以節省研發成本，還能提高開發效率，是生技醫藥產業發展不可或缺的一環。
我具有豐富的生技醫藥研究經驗，尤其擅長電腦輔助藥物篩選與設計，以及理論化學計算能力，能夠有效地整合多種專業領域的知識與技能，協助加速新藥的開發。我熟悉各種藥物設計軟體和化學計算軟體，能夠靈活運用這些工具，協助項目團隊進行研究，並具有豐富的研究和開發經驗，可為研發團隊帶來寶貴的貢獻。
【專長技能】
電腦輔助藥物篩選與設計（包括AutoDock, GOLD等軟體）
理論化學計算（包括Gaussian, VMD等軟體）
生物資訊分析（包括NCBI, Python等工具）
新藥開發流程熟悉（從分子設計到臨床前測試）
電腦系統管理（熟悉Linux, Windows等作業系統）
【學歷、經歷和績效】
大學 : 就讀於高雄醫學大學生物醫學暨環境生物學系，學習了生物相關的知識和技能。
碩士 : 進入系上碩士班生物科技組，主修生物與化學資訊，學習理論生物計算等技能。
研究助理 : 曾在高雄醫學大學(1年)和中國醫藥大學附設醫院(14年)擔任研究助理。
善於各項藥物設計計算，包含藥物篩選模擬、藥效基團模型及理論化學計算等等，
基礎分子生物學研究。
迄今已發表學術論文15篇 (https://orcid.org/0000-0002-2773-8748)。
電腦及週邊設備、軟體及網路維護。
中華崇華文化教育協會文書企劃組組長 :
安排志工教育訓練並規劃志工服務工作，
管理衛生福利部志工主機系統的志工資料。
我深刻認識到，生技醫藥產業需要綜合型研發團隊方能勝任，因此我透過學習和實踐不斷提升自己的綜合實力，期望能為生技醫藥產業帶來不斷的發展和創新。希望我能有機會為貴公司在新藥研發工作上貢獻所長。
Autobiography
【About Me】
I am from New Taipei City. I believe in being sincere, diligent, and efficient in completing tasks.
During my academic journey, I have gained knowledge and skills in various fields, including biology, chemistry, and computer science. I have become a communication bridge between different fields and have the ability to integrate the work of new drug development. Nowadays, computer-aided drug design (CADD) is an essential step in the development of new drugs. It not only saves R&D costs but also improves development efficiency, making it an indispensable part of the biopharmaceutical industry.
I have extensive experience in biopharmaceutical research, especially in computer-aided drug screening and design, as well as theoretical chemical calculation capabilities. I can effectively integrate knowledge and skills from various professional fields to accelerate the development of new drugs. I am familiar with various drug design and chemical calculation software, and can flexibly use these tools to assist project teams in research. I have rich research and development experience and can bring valuable contributions to R&D teams.
【Professional Skills】
Computer-aided drug screening and design
Theoretical chemistry calculations
Bioinformatics analysis
Familiar with the process of drug development
Computer system administration Exceptional report writing and publishing skills
As a bioinformatics and cheminformatics professional, I am passionate about the future of the biotech and pharmaceutical industries. With a strong background in biomedical science, organic chemistry, and information technology, I am committed to contributing my skills and knowledge to advance these fields. Recognizing the need for interdisciplinary talent in biotech and pharma, I continuously strive to improve my skills and enhance my expertise in order to drive innovation and progress in these industries. I am excited to utilize my unique combination of skills and experience to make meaningful contributions to the growth and development of biotech and pharma.
專業表現(I)
藥物篩選流程(I)
Virtual screening
藥物篩選設計策略，從資料庫中找出具抑制ACE2蛋白活性潛力藥物。
分子對接(I)
Molecular docking
計算小分子對接於ACE2蛋白的位置與構形;分析參與結合的胺基酸。
藥效基團模型
Pharmacophore
預測小分子在3D空間的結合方式，並分析其可能的交互作用力模式。
藥物篩選流程(II)
Virtual screening
系統性地建立藥物篩選流程，從資料庫中找出具抑制生物活性的藥物。
多標靶分子模型
Muti-Target
針對多個目標蛋白篩選出適合的小分子，以開發具多標靶抑制能力藥物。
定量構效關係(I)
2D-QSAR
以物化特徵，建立定量構效關係函式，分析重要物化特徵及篩藥模式。
專業表現(II)
分子對接(II)
Molecular docking
計算小分子對接於DNA的位置與構形並分析其重要結合作用力。
定量構效關係(II)
3D-QSAR
在力場環境下，建立定量構效關係式，分析小分子可衍生修飾區域。
分子能量
Potential energy
利用量子化學方法計算分子能量，並評估其化學反應的可行性。
分子動力學計算
Molecular dynamics
利用分子動力學方法計算與評估小分子與目標蛋白結合的穩定性變化。
結合自由能計算
Binding free energy
在分子動力學計算後，使用MMPBSA方法計算小分子與蛋白質之結合能。
胺基酸結合能分析
Energy decomposition
以MMPBSA分析影響小分子與目標蛋白結合的胺基酸及其能量。
專業表現(III)
台灣藥物樣品資料庫
Taiwan Database of Extracts and Compounds (TDEC)
https://tdec.kmu.edu.tw/
整合台灣藥物樣品資料
TDEC提供功能性資源整合平台，包含天然藥物樣品資料、生物活性數據資料、物化特性數據計算、多點媒合加值服務及藥物研究專家資料庫等功能。
增加跨領域合作機會
TDEC整合各領域研究資訊，進行新藥開發跨領域及跨地域之合作，實現國內新藥開發研究資源整合及共享平台。
The poster presentation was shown at the 21st International Congress of International Society for Ethnopharmacology (ISE) on 28-31 May 2022 in Taichung, Taiwan.
專長
電腦輔助藥物篩選與設計
(A)海量篩選具藥效潛力之藥物。
(B)分析小分子與蛋白質結合關係。
(C)找出最適小分子結合位的化合物結構。
(D)優化小分子藥理活性。
(E)研究報告及論文撰寫發表 。
(F)熟悉各式藥物計算軟體，如下:
1. 藥物篩選:
(1) 分子對接計算: GOLD, AutoDock Vina, Discovery Studio Libdock/CDOCKER;
(2) 定量結構活性關係模式計算: Discovery Studio QSAR MODEL, Sybyl-X;
(3) 藥效基團模型計算: Discovery Studio 3D QSAR Pharmacophore/DS PharmaDB;
2. 蛋白結構模擬:
Discovery Studio Homology Models; SWISS-MODEL web tool; I-TASSER server;
3. 結構相似性比對:
Discovery Studio; OpenBabel; ChemBioOffice ChemFinder;
4. 分子動力學分析:
Gromacs; Discovery studio (CHARMm);
5. 分子模擬:
Discovery Studio; Avogadro; PyMOL; Chimera; AutoDock tool; ChemBioOffice;
6. 臨床藥效分析:
(1) ADME/T: Discovery Studio, pkCSM website;
(2) Druglikeness: SwissADME wetsite;
7. 結合自由能計算: gmx_MMPBSA;
理論化學計算
(A)計算小分子能量、活化能及過渡態結構模式。
(B)評估及解釋化學合成路徑的合理性。
(C)研究報告及論文撰寫發表。
(D)熟悉理論化學計算軟體，如下:
1. 量子力學計算: Gaussian; Gauss View; Avogadro;
2. 分子力學計算: Discovery Studio; ChemBioOffice; Avogadro;
生物學專業與研究
(A)生物學研究知識及分生實驗經驗。
(B)研究報告及論文撰寫發表。
(C)相關細生及分生實驗操作經驗。
其他工作技能
電腦設備裝配、資訊設備環境設定、作業系統基本操作、文書處理軟體操作、電子試算表軟體操作、簡報軟體操作、文件管理中心之建立與維護、檔案管理之電腦化策略、輸入資料與原始文件檔案比對審核、統計軟體操作、新藥研發實驗規劃執行、進行生藥與藥學研究發展
1. 辦公室應用類：Adobe Acrobat、Excel、PowerPoint、Word，尤善於PowerPoint簡報製作。
2. 網路技術類：FTP, VNC等。
3. 作業系統類：Linux (Ubuntu), Windows (XP, 7, 8,10,11)。
4. 程式設計類：Java, Python。
5. 網站及資料庫設計。
6. 辦公室相關電腦軟硬體設定及維護。
7. 其它行政業務。
技能
- Computer-aided drug design
- Structural Modifications
- QSAR
- Pharmacophore
- Virtual screening
- Molecular docking
- Computational Chemistry
- Independent
- Friendly
語言
- English — 進階
- Chinese — 母語或雙語
論文發表
Jang, Y.-J.; Chen, G.-Y.; Jhan, Y.-L.; Lo, P.-T.; Hsu, W.-Y.; Wang, K.; Hsu, Y.-T.; Lee, C.-L.; Yang, Y.-L.; Wu, Y.-C. Chemo- and Regioselective Construction of Functionalized Isocoumarin, Flavone, and Isoquinolinedione via a One-pot Reaction of o-Quinol Acetate and Soft Nucleophiles. Advanced Synthesis & Catalysis 2023, accepted.
Chen, G.-Y.; Pan, Y.-C.; Wu, T.-Y.; Yao, T.-Y.; Wang, W.-J.; Shen, W.-J.; Ahmed, A.; Chan, S.-T.; Tang, C.-H.; Huang, W.-C. Potential natural products that target the SARS-CoV-2 spike protein identified by structure-based virtual screening, isothermal titration calorimetry and lentivirus particles pseudotyped (Vpp) infection assay. Journal of Traditional and Complementary Medicine 2022, 12 (1), 73-89.
Ma, W.-L.; Chang, N.; Yu, Y.; Su, Y.-T.; Chen, G.-Y.; Cheng, W.-C.; Wu, Y.-C.; Li, C.-C.; Chang, W.-C.; Yang, J.-C. Ursolic acid silences CYP19A1/aromatase to suppress gastric cancer growth. Cancer Medicine 2022, 11 (14), 2824-2835.
Winardi, D.; Chu, P.-Y.; Chen, G.-Y.; Wang, K.; Hsu, W.-Y.; Hsieh, C.-L.; Chen, Y.-H.; Wu, Y.-C.; Yang, J.-C. Novel Aurora A Kinase Inhibitor Fangchinoline Enhances Cisplatin–DNA Adducts and Cisplatin Therapeutic Efficacy in OVCAR-3 Ovarian Cancer Cells-Derived Xenograft Model. International Journal of Molecular Sciences 2022, 23 (3), 1868.
Wu, F.-L.; Chu, P.-Y.; Chen, G.-Y.; Wang, K.; Hsu, W.-Y.; Ahmed, A.; Ma, W.-L.; Cheng, W.-C.; Wu, Y.-C.; Yang, J.-C. Natural anthraquinone compound emodin as a novel inhibitor of aurora A kinase: A pilot study. Chemical Biology & Drug Design 2022, 99 (1), 126-135.
Dai, Y.-H.; Chen, G.-Y.; Tang, C.-H.; Huang, W.-C.; Yang, J.-C.; Wu, Y.-C. Drug screening of potential multiple target inhibitors for estrogen receptor-α-positive breast cancer. in vivo 2021, 35 (2), 761-777.
Wang, K.; Yang, J.-C.; Jang, Y.-J.; Chen, G.-Y.; Zhang, Y.-J.; Dai, Y.-H.; Zhang, D.-Y.; Wu, Y.-C. 19-(Benzyloxy)-19-oxojolkinolide B (19-BJB), an ent-abietane diterpene diepoxide, inhibits the growth of bladder cancer T24 cells through DNA damage. Plos one 2021, 16 (3), e0248468.
Weng, I.-T.; Lin, Y.-A.; Chen, G.-Y.; Chiang, H.-M.; Liu, Y.-J.; Chen, C.-J.; Lan, Y.-H.; Lee, C.-L. (–)-β-Homoarginine anhydride, a new antioxidant and tyrosinase inhibitor, and further active components from Trichosanthes truncata. Natural product research 2020, 34 (16), 2262-2268.
Chien, C.-M.; Yang, J.-C.; Wu, P.-H.; Wu, C.-Y.; Chen, G.-Y.; Wu, Y.-C.; Chou, C.-K.; Tseng, C.-H.; Chen, Y.-L.; Wang, L.-F. Phytochemical naphtho [1, 2-b] furan-4, 5‑dione induced topoisomerase II-mediated DNA damage response in human non-small-cell lung cancer. Phytomedicine 2019, 54, 109-119.
Tung, J.-C.; Huang, W.-C.; Yang, J.-C.; Chen, G.-Y.; Fan, C.-C.; Chien, Y.-C.; Lin, P.-S.; Candice Lung, S.-C.; Chang, W.-C. Auramine O, an incense smoke ingredient, promotes lung cancer malignancy. Environmental toxicology 2017, 32 (11), 2379-2391.
Lai, K.-H.; Liu, Y.-C.; Su, J.-H.; El-Shazly, M.; Wu, C.-F.; Du, Y.-C.; Hsu, Y.-M.; Yang, J.-C.; Weng, M.-K.; Chou, C.-H.; Chen, G.-Y.; Chen Y.-C.; Lu, M.-C. Antileukemic scalarane sesterterpenoids and meroditerpenoid from Carteriospongia (Phyllospongia) sp., induce apoptosis via dual inhibitory effects on topoisomerase II and Hsp90. Scientific reports 2016, 6 (1), 1-14.
Lee, C.-L.; Lin, Y.-T.; Chang, F.-R.; Chen, G.-Y.; Backlund, A.; Yang, J.-C.; Chen, S.-L.; Wu, Y.-C. Synthesis and biological evaluation of phenanthrenes as cytotoxic agents with pharmacophore modeling and ChemGPS-NP prediction as topo II inhibitors. PloS one 2012, 7 (5), e37897.
Lin, Y.-T.; Chen, G.-Y. A scaffold-independent subcellular event-based analysis: characterization of significant structural modifications. Journal of chemical information and modeling 2012, 52 (2), 506-514.
Lai, W.-C.; Wang, H.-C.; Chen, G.-Y.; Yang, J.-C.; Korinek, M.; Hsieh, C.-J.; Nozaki, H.; Hayashi, K.-I.; Wu, C.-C.; Wu, Y.-C. Using the pER8: GUS reporter system to screen for phytoestrogens from Caesalpinia sappan. Journal of natural products 2011, 74 (8), 1698-1706.
Yang, J.-C.; Lu, M.-C.; Lee, C.-L.; Chen, G.-Y.; Lin, Y.-Y.; Chang, F.-R.; Wu, Y.-C. Selective targeting of breast cancer cells through ROS-mediated mechanisms potentiates the lethality of paclitaxel by a novel diterpene, gelomulide K. Free Radical Biology and Medicine 2011, 51 (3), 641-657.
陳冠宇
您好! 我擅長電腦輔助藥物篩選與設計，憑藉我在生物、化學和資訊科學領域的背景知識和豐富的專業技能和經驗，能夠快速、精確地進行藥物篩選和分析，並使用系統性的方法找出具有藥效活性的小分子。此外，我能夠運用物化特徵和藥理活性預測分析來進一步優化分子結構，提高藥物研發成功率，並增加老藥新用的可能性。我同時擅長評估小分子的活化能和化學合成可行性，以提高藥物研發速度和效率。
Taichung, North District, Taichung City, Taiwan https://orcid.org/0000-0002-2773-8748
學歷
2006 - 2008
高雄醫學大學 生物醫學暨環境生物碩士班
計算生物學- Computational biology
2002 - 2006
高雄醫學大學 生物醫學暨環境生物學系
生物醫學-Biomedical sciences
工作經歷
八月 2010 - 現在
九月 2009 - 八月 2010
研究助理 Research Assistant
-高雄醫學大學 Kaohsiung Medical University
1. 電腦輔助藥物篩選&設計;
2. 研究計畫執行及論文撰寫，發表2篇學術論文;
3. 網路、電腦及週邊設備運作維護及排錯;
4. 其它行政工作。
自傳
【關於我】
我是新北市人，為人真誠，做事認真，有效率地完成任務是我的信念。
我在求學的過程中，跨足了生物、化學與資訊科學等領域，建立了豐富的相關知識和技能，進而成為領域間的溝通橋樑，具有整合新藥開發工作的能力。現今，電腦輔助藥物設計已是新藥開發中非常重要的步驟，不僅可以節省研發成本，還能提高開發效率，是生技醫藥產業發展不可或缺的一環。
我具有豐富的生技醫藥研究經驗，尤其擅長電腦輔助藥物篩選與設計，以及理論化學計算能力，能夠有效地整合多種專業領域的知識與技能，協助加速新藥的開發。我熟悉各種藥物設計軟體和化學計算軟體，能夠靈活運用這些工具，協助項目團隊進行研究，並具有豐富的研究和開發經驗，可為研發團隊帶來寶貴的貢獻。
【專長技能】
電腦輔助藥物篩選與設計（包括AutoDock, GOLD等軟體）
理論化學計算（包括Gaussian, VMD等軟體）
生物資訊分析（包括NCBI, Python等工具）
新藥開發流程熟悉（從分子設計到臨床前測試）
電腦系統管理（熟悉Linux, Windows等作業系統）
【學歷、經歷和績效】
大學 : 就讀於高雄醫學大學生物醫學暨環境生物學系，學習了生物相關的知識和技能。
碩士 : 進入系上碩士班生物科技組，主修生物與化學資訊，學習理論生物計算等技能。
研究助理 : 曾在高雄醫學大學(1年)和中國醫藥大學附設醫院(14年)擔任研究助理。
善於各項藥物設計計算，包含藥物篩選模擬、藥效基團模型及理論化學計算等等，
基礎分子生物學研究。
迄今已發表學術論文15篇 (https://orcid.org/0000-0002-2773-8748)。
電腦及週邊設備、軟體及網路維護。
中華崇華文化教育協會文書企劃組組長 :
安排志工教育訓練並規劃志工服務工作，
管理衛生福利部志工主機系統的志工資料。
我深刻認識到，生技醫藥產業需要綜合型研發團隊方能勝任，因此我透過學習和實踐不斷提升自己的綜合實力，期望能為生技醫藥產業帶來不斷的發展和創新。希望我能有機會為貴公司在新藥研發工作上貢獻所長。
Autobiography
【About Me】
I am from New Taipei City. I believe in being sincere, diligent, and efficient in completing tasks.
During my academic journey, I have gained knowledge and skills in various fields, including biology, chemistry, and computer science. I have become a communication bridge between different fields and have the ability to integrate the work of new drug development. Nowadays, computer-aided drug design (CADD) is an essential step in the development of new drugs. It not only saves R&D costs but also improves development efficiency, making it an indispensable part of the biopharmaceutical industry.
I have extensive experience in biopharmaceutical research, especially in computer-aided drug screening and design, as well as theoretical chemical calculation capabilities. I can effectively integrate knowledge and skills from various professional fields to accelerate the development of new drugs. I am familiar with various drug design and chemical calculation software, and can flexibly use these tools to assist project teams in research. I have rich research and development experience and can bring valuable contributions to R&D teams.
【Professional Skills】
Computer-aided drug screening and design
Theoretical chemistry calculations
Bioinformatics analysis
Familiar with the process of drug development
Computer system administration Exceptional report writing and publishing skills
As a bioinformatics and cheminformatics professional, I am passionate about the future of the biotech and pharmaceutical industries. With a strong background in biomedical science, organic chemistry, and information technology, I am committed to contributing my skills and knowledge to advance these fields. Recognizing the need for interdisciplinary talent in biotech and pharma, I continuously strive to improve my skills and enhance my expertise in order to drive innovation and progress in these industries. I am excited to utilize my unique combination of skills and experience to make meaningful contributions to the growth and development of biotech and pharma.
專業表現(I)
藥物篩選流程(I)
Virtual screening
藥物篩選設計策略，從資料庫中找出具抑制ACE2蛋白活性潛力藥物。
分子對接(I)
Molecular docking
計算小分子對接於ACE2蛋白的位置與構形;分析參與結合的胺基酸。
藥效基團模型
Pharmacophore
預測小分子在3D空間的結合方式，並分析其可能的交互作用力模式。
藥物篩選流程(II)
Virtual screening
系統性地建立藥物篩選流程，從資料庫中找出具抑制生物活性的藥物。
多標靶分子模型
Muti-Target
針對多個目標蛋白篩選出適合的小分子，以開發具多標靶抑制能力藥物。
定量構效關係(I)
2D-QSAR
以物化特徵，建立定量構效關係函式，分析重要物化特徵及篩藥模式。
專業表現(II)
分子對接(II)
Molecular docking
計算小分子對接於DNA的位置與構形並分析其重要結合作用力。
定量構效關係(II)
3D-QSAR
在力場環境下，建立定量構效關係式，分析小分子可衍生修飾區域。
分子能量
Potential energy
利用量子化學方法計算分子能量，並評估其化學反應的可行性。
分子動力學計算
Molecular dynamics
利用分子動力學方法計算與評估小分子與目標蛋白結合的穩定性變化。
結合自由能計算
Binding free energy
在分子動力學計算後，使用MMPBSA方法計算小分子與蛋白質之結合能。
胺基酸結合能分析
Energy decomposition
以MMPBSA分析影響小分子與目標蛋白結合的胺基酸及其能量。
專業表現(III)
台灣藥物樣品資料庫
Taiwan Database of Extracts and Compounds (TDEC)
https://tdec.kmu.edu.tw/
整合台灣藥物樣品資料
TDEC提供功能性資源整合平台，包含天然藥物樣品資料、生物活性數據資料、物化特性數據計算、多點媒合加值服務及藥物研究專家資料庫等功能。
增加跨領域合作機會
TDEC整合各領域研究資訊，進行新藥開發跨領域及跨地域之合作，實現國內新藥開發研究資源整合及共享平台。
The poster presentation was shown at the 21st International Congress of International Society for Ethnopharmacology (ISE) on 28-31 May 2022 in Taichung, Taiwan.
專長
電腦輔助藥物篩選與設計
(A)海量篩選具藥效潛力之藥物。
(B)分析小分子與蛋白質結合關係。
(C)找出最適小分子結合位的化合物結構。
(D)優化小分子藥理活性。
(E)研究報告及論文撰寫發表 。
(F)熟悉各式藥物計算軟體，如下:
1. 藥物篩選:
(1) 分子對接計算: GOLD, AutoDock Vina, Discovery Studio Libdock/CDOCKER;
(2) 定量結構活性關係模式計算: Discovery Studio QSAR MODEL, Sybyl-X;
(3) 藥效基團模型計算: Discovery Studio 3D QSAR Pharmacophore/DS PharmaDB;
2. 蛋白結構模擬:
Discovery Studio Homology Models; SWISS-MODEL web tool; I-TASSER server;
3. 結構相似性比對:
Discovery Studio; OpenBabel; ChemBioOffice ChemFinder;
4. 分子動力學分析:
Gromacs; Discovery studio (CHARMm);
5. 分子模擬:
Discovery Studio; Avogadro; PyMOL; Chimera; AutoDock tool; ChemBioOffice;
6. 臨床藥效分析:
(1) ADME/T: Discovery Studio, pkCSM website;
(2) Druglikeness: SwissADME wetsite;
7. 結合自由能計算: gmx_MMPBSA;
理論化學計算
(A)計算小分子能量、活化能及過渡態結構模式。
(B)評估及解釋化學合成路徑的合理性。
(C)研究報告及論文撰寫發表。
(D)熟悉理論化學計算軟體，如下:
1. 量子力學計算: Gaussian; Gauss View; Avogadro;
2. 分子力學計算: Discovery Studio; ChemBioOffice; Avogadro;
生物學專業與研究
(A)生物學研究知識及分生實驗經驗。
(B)研究報告及論文撰寫發表。
(C)相關細生及分生實驗操作經驗。
其他工作技能
電腦設備裝配、資訊設備環境設定、作業系統基本操作、文書處理軟體操作、電子試算表軟體操作、簡報軟體操作、文件管理中心之建立與維護、檔案管理之電腦化策略、輸入資料與原始文件檔案比對審核、統計軟體操作、新藥研發實驗規劃執行、進行生藥與藥學研究發展
1. 辦公室應用類：Adobe Acrobat、Excel、PowerPoint、Word，尤善於PowerPoint簡報製作。
2. 網路技術類：FTP, VNC等。
3. 作業系統類：Linux (Ubuntu), Windows (XP, 7, 8,10,11)。
4. 程式設計類：Java, Python。
5. 網站及資料庫設計。
6. 辦公室相關電腦軟硬體設定及維護。
7. 其它行政業務。
技能
- Computer-aided drug design
- Structural Modifications
- QSAR
- Pharmacophore
- Virtual screening
- Molecular docking
- Computational Chemistry
- Independent
- Friendly
語言
- English — 進階
- Chinese — 母語或雙語
論文發表
Jang, Y.-J.; Chen, G.-Y.; Jhan, Y.-L.; Lo, P.-T.; Hsu, W.-Y.; Wang, K.; Hsu, Y.-T.; Lee, C.-L.; Yang, Y.-L.; Wu, Y.-C. Chemo- and Regioselective Construction of Functionalized Isocoumarin, Flavone, and Isoquinolinedione via a One-pot Reaction of o-Quinol Acetate and Soft Nucleophiles. Advanced Synthesis & Catalysis 2023, accepted.
Chen, G.-Y.; Pan, Y.-C.; Wu, T.-Y.; Yao, T.-Y.; Wang, W.-J.; Shen, W.-J.; Ahmed, A.; Chan, S.-T.; Tang, C.-H.; Huang, W.-C. Potential natural products that target the SARS-CoV-2 spike protein identified by structure-based virtual screening, isothermal titration calorimetry and lentivirus particles pseudotyped (Vpp) infection assay. Journal of Traditional and Complementary Medicine 2022, 12 (1), 73-89.
Ma, W.-L.; Chang, N.; Yu, Y.; Su, Y.-T.; Chen, G.-Y.; Cheng, W.-C.; Wu, Y.-C.; Li, C.-C.; Chang, W.-C.; Yang, J.-C. Ursolic acid silences CYP19A1/aromatase to suppress gastric cancer growth. Cancer Medicine 2022, 11 (14), 2824-2835.
Winardi, D.; Chu, P.-Y.; Chen, G.-Y.; Wang, K.; Hsu, W.-Y.; Hsieh, C.-L.; Chen, Y.-H.; Wu, Y.-C.; Yang, J.-C. Novel Aurora A Kinase Inhibitor Fangchinoline Enhances Cisplatin–DNA Adducts and Cisplatin Therapeutic Efficacy in OVCAR-3 Ovarian Cancer Cells-Derived Xenograft Model. International Journal of Molecular Sciences 2022, 23 (3), 1868.
Wu, F.-L.; Chu, P.-Y.; Chen, G.-Y.; Wang, K.; Hsu, W.-Y.; Ahmed, A.; Ma, W.-L.; Cheng, W.-C.; Wu, Y.-C.; Yang, J.-C. Natural anthraquinone compound emodin as a novel inhibitor of aurora A kinase: A pilot study. Chemical Biology & Drug Design 2022, 99 (1), 126-135.
Dai, Y.-H.; Chen, G.-Y.; Tang, C.-H.; Huang, W.-C.; Yang, J.-C.; Wu, Y.-C. Drug screening of potential multiple target inhibitors for estrogen receptor-α-positive breast cancer. in vivo 2021, 35 (2), 761-777.
Wang, K.; Yang, J.-C.; Jang, Y.-J.; Chen, G.-Y.; Zhang, Y.-J.; Dai, Y.-H.; Zhang, D.-Y.; Wu, Y.-C. 19-(Benzyloxy)-19-oxojolkinolide B (19-BJB), an ent-abietane diterpene diepoxide, inhibits the growth of bladder cancer T24 cells through DNA damage. Plos one 2021, 16 (3), e0248468.
Weng, I.-T.; Lin, Y.-A.; Chen, G.-Y.; Chiang, H.-M.; Liu, Y.-J.; Chen, C.-J.; Lan, Y.-H.; Lee, C.-L. (–)-β-Homoarginine anhydride, a new antioxidant and tyrosinase inhibitor, and further active components from Trichosanthes truncata. Natural product research 2020, 34 (16), 2262-2268.
Chien, C.-M.; Yang, J.-C.; Wu, P.-H.; Wu, C.-Y.; Chen, G.-Y.; Wu, Y.-C.; Chou, C.-K.; Tseng, C.-H.; Chen, Y.-L.; Wang, L.-F. Phytochemical naphtho [1, 2-b] furan-4, 5‑dione induced topoisomerase II-mediated DNA damage response in human non-small-cell lung cancer. Phytomedicine 2019, 54, 109-119.
Tung, J.-C.; Huang, W.-C.; Yang, J.-C.; Chen, G.-Y.; Fan, C.-C.; Chien, Y.-C.; Lin, P.-S.; Candice Lung, S.-C.; Chang, W.-C. Auramine O, an incense smoke ingredient, promotes lung cancer malignancy. Environmental toxicology 2017, 32 (11), 2379-2391.
Lai, K.-H.; Liu, Y.-C.; Su, J.-H.; El-Shazly, M.; Wu, C.-F.; Du, Y.-C.; Hsu, Y.-M.; Yang, J.-C.; Weng, M.-K.; Chou, C.-H.; Chen, G.-Y.; Chen Y.-C.; Lu, M.-C. Antileukemic scalarane sesterterpenoids and meroditerpenoid from Carteriospongia (Phyllospongia) sp., induce apoptosis via dual inhibitory effects on topoisomerase II and Hsp90. Scientific reports 2016, 6 (1), 1-14.
Lee, C.-L.; Lin, Y.-T.; Chang, F.-R.; Chen, G.-Y.; Backlund, A.; Yang, J.-C.; Chen, S.-L.; Wu, Y.-C. Synthesis and biological evaluation of phenanthrenes as cytotoxic agents with pharmacophore modeling and ChemGPS-NP prediction as topo II inhibitors. PloS one 2012, 7 (5), e37897.
Lin, Y.-T.; Chen, G.-Y. A scaffold-independent subcellular event-based analysis: characterization of significant structural modifications. Journal of chemical information and modeling 2012, 52 (2), 506-514.
Lai, W.-C.; Wang, H.-C.; Chen, G.-Y.; Yang, J.-C.; Korinek, M.; Hsieh, C.-J.; Nozaki, H.; Hayashi, K.-I.; Wu, C.-C.; Wu, Y.-C. Using the pER8: GUS reporter system to screen for phytoestrogens from Caesalpinia sappan. Journal of natural products 2011, 74 (8), 1698-1706.
Yang, J.-C.; Lu, M.-C.; Lee, C.-L.; Chen, G.-Y.; Lin, Y.-Y.; Chang, F.-R.; Wu, Y.-C. Selective targeting of breast cancer cells through ROS-mediated mechanisms potentiates the lethality of paclitaxel by a novel diterpene, gelomulide K. Free Radical Biology and Medicine 2011, 51 (3), 641-657.