罗海彬


1.基本情况
罗海彬 男 博士教授 博士生导师
E-Mail：luohb77@163.com, **@qq.com，电话：
2.教育背景
1995.09 － 2002.07
厦门大学化学系，学士、硕士

2002.10 － 2005.12
香港浸会大学化学系，博士

3.教学情况
主讲计算机辅助药物设计
4.科研情况
面向突发重大公共疫情和国家/军队的重大需求，聚焦于药物设计新方法和肺部炎症性疾病新药研发，构建了基于自由能微扰的药/靶结合强度预测等核心算法，实现部分方法的新突破及国产化，成功应用于新冠肺炎、缺氧性肺动脉高压和肺纤维化等肺部炎症性疾病新药研发。创制了新冠肺炎治疗药物双嘧达莫、两个靶向磷酸二酯酶PDE临床前候选新药1607和LW33（两个均实现成果转化）、十个PDEs成药性候选分子。
5.研究领域
药物设计新方法与PDE靶向药物
6.社会兼职
中国化学会计算机化学专业委员会委员
广东药学会药物化学专业委员会副主委兼秘书长
7.代表性项目
国家重点研发计划：基于E 级高性能计算生物医药应用软件系统研制及应用 2017.07-2020.12
国自然优秀青年基金，药物设计与发现
广东省“珠江****”****项目，2016.10-2021.09万
广州市科技机会科学研究重点项目，抗肺动脉高压首创药物2058对磷酸二酯酶PDE5变构位点的调节机制、结构优化和成药性研究，2019.04-2022.03，
国家自然科学基金面上项目：特异性识别磷酸二酯酶PDE8的黄嘌呤类衍生物：设计、抗血管性痴呆活性及作用机制研究，2019.01-2022.12
8.代表性成果
2000年后，在Cell、PNAS、ACS Nano、ACS Catalysis、J Med Chem、Acta Pharm Sin B等国内外杂志发表论文130多篇（*表示为通讯作者）。
1）Wu, Y.; Li, Z.; Zhao, Y.S.; Huang, Y.Y.; Jiang, M.Y.;Luo, H.-B*. Therapeutic targets and potential agents for the treatment of COVID-19. Med. Res. Rev.2021, doi: 10.1002/med.21776.
2）Huang, Y.; Wu, X.N.; Zhou, Q.; Wu. Y.;Zheng. D, Li, Z.;Guo, L.;Luo, H.-B*. Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors. J. Med. Chem. 2020, 63(24): 15852-15863.
3）Li, Z.; Li X.; Huang, Y.Y.; Wu, Y.; Liu, R.; Zhou, L.; Lin, Y.; Wu, D.; Zhang, L.; Liu, H.;Xu, X.; Yu, K.; Zhang, Y.; Cui. J*.; Zhan, C.G*.; Wang, X*.;Luo, H.-B*. Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs. Proc. Natl. Acad. Sci. U S A.2020, 117(44): 27381-27387.
4）Jinhao Liang, Yi-You Huang, Qian Zhou, YuqiGao, Zhe Li, Deyan Wu, Si Yu, Lei Guo, Zhen Chen, Ling Huang, Steven H Liang, Xixin He*, Ruibo Wu*, Hai-Bin Luo.* Discovery and optimization of α-mangostin derivatives as novel PDE4 inhibitors for the treatment of vascular dementia, J. Med. Chem.2020, 63, 3370-3380
5）Xiaoyan Liu; Zhe Li; Shuai Liu; Jing Sun; Zhanghua Chen; Min Jiang; Qingling Zhang; Yinghua Wei; Xin Wang; Yi-You Huang; Yinyi Shi; YanhuiXu; Huifang Xian; Fan Bai; ChangxingOu; BeiXiong; Andrew M Lew; Jun Cui; Rongli Fang; Hui Huang; Jincun Zhao*; Xuechuan Hong*; Yuxia Zhang*; Fuling Zhou*; Hai-Bin Luo.* Potential therapeutic effects of dipyridamole to the severely ill , patients with COVID-19（12家机构参加本研究）Acta Pharm. Sin. B2020, 10(7):1205-1215.
6）Ma, Y.; Ye, Z.; Zhang, C.; Wang, X.; Li, H.W.; Wong, M.S.;Luo, H.-B.*; Xiao, L.* Deep Red Blinking Fluorophore for Nanoscopic Imaging and Inhibition of β-Amyloid Peptide Fibrillation. ACS Nano.2020 ,14(9):11341-11351.
7）Li Z.; Zhao, Y.; Huifang Zhou, H.; Luo, H-B*.; Zhan, C.G.* Catalytic Roles of Coenzyme Pyridoxal-5′-phosphate (PLP) in PLP-Dependent Enzymes: Reaction Pathway for Methionine-γ-Lyase-Catalyzed l-Methionine Depletion. ACS Catalysis 2020, 10, 2198-2210.
8）Fan Zhang, TianyueAn, Xiaowen Tang, JiachenZi*, Hai-Bin Luo*, Ruibo Wu*. Enzyme Promiscuity versus Fidelity in Two SesquiterpeneCyclases (TEAS versus ATAS). ACS Catalysis 2020, 10, 1470-1484.
9）Li, Z.; Huang, Y.; Wu, Y.; Chen, J.; Wu, D.; Zhan, C.G.*; Luo, H.-B*. Absolute Binding Free Energy Calculation and Design of a Subnanomolar Inhibitor of Phosphodiesterase-10. J. Med. Chem. 2019, 62, 2099-2111.
10）Wu, Y.; Zhou, Q.; Zhang,T.; Li, Z.; Chen, Y.P.; Zhang, P.; Yu, Y.F.; Geng, H.; Tian, Y.J.; Zhang, C.; Wang, Y.; Chen, J.W.*; Chen, Y. *; Luo, H.-B.* Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia. J. Med. Chem.2019, 62, 4218-4224.
11）Huang, Y.Y.; Yu, Y.; Zhang, C.; Chen, Y.; Zhou, Q.; Li, Z.; Zhou, S.; Li, Z.; Guo, L.; Wu, D.*; Wu, Y.*; Luo, H-B*. Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors. J. Med. Chem.2019, 62, 3707-3721.
12）SenlingFeng; Huifang Zhou; Deyan Wu; DechongZheng; Biao Qu; Ruiming; Liu; Chen Zhang; Zhe Li; Ying Xie;* Hai-Bin Luo.*Nobiletin and its derivatives overcome multidrug resistance (MDR) in cancer: total synthesis and discovery of potent MDR reversal agents. Acta Pharm. Sin. B. 2020, 10, 327-343.
13）Wu, D.W.; Huang Y.; Chen, Y.; Huang, Y.; Geng, H.; Zhang, T.; Zhang, C.; Li, Z.; Guo, L.; Chen, J. W.; Luo, L.-B.* Optimization of Chromeno[2,3-c]pyrrol-9(2H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension. J. Med. Chem.,2018, 61, 8468-8473.
14）Wu, D.W.; Zhang, T.H.; Chen, Y.; Huang, Y.; Geng, H.; Yu, Y.; Zhang, C., Lai, Z.W.; Wu, Y.; Guo, X.; Chen, J. W.*; Luo, L.-B.* Discovery and Optimization of Chromeno[2,3-c]pyrrol-9(2H)-ones as Novel Selective and Orally Bioavailable Phosphodiesterase 5 Inhibitors for the Treatment of Pulmonary Arterial Hypertension. J. Med. Chem.2017, 60(15): 6622-6637.
15）Wu, Y.; Li, Z.; Huang, Y.-Y.; Wu, D.Y.; Luo, L.-B.* Novel Phosphodiesterase Inhibitors for Cognitive Improvement in Alzheimer's Disease. J. Med. Chem.2018, 61 (13), 5467–5483.
16）Wu, X.N.; Huang, Y.D.; Li, J.X.; Yu, Y.F.; Qian, Z.; Zhang, C.; Wu Y*.;Luo H.-B.* Structure-based design, synthesis, and biological evaluation of novel pyrimidinone derivatives as PDE9 inhibitors. Acta Pharm. Sin. B2018, 8(4), 615-628.
17）Huang, Y.; Liu, X.; Wu, D.; Tang, G.; Lai, Z.; Zheng, X. *; Yin. S. *; Luo, H.-B. *The discovery, complex crystal structure, and recognition mechanism of a novel natural PDE4 inhibitor from Selaginellapulvinata. Biochem. Pharmacol.2017, 130, 51-59.
18）Zhang, C.; Feng, L.J.; Huang, Y.; Wu, D.; Li, Z.; Zhou, Q.; Wu, Y. *;Luo, H.-B.* Discovery of Novel Phosphodiesterase-2A Inhibitors by Structure-Based Virtual Screening, Structural Optimization, and Bioassay. J. Chem. Inf. Model.2017, 57, 355-364.
19）Li, Z.; Wu, Y., Feng, L.J.; Wu, R.*; Luo, H.-B.* Ab Initio QM/MM Study Shows a Highly Dissociated S_N2 Hydrolysis mechanism for the cGMP-specific phosphodiesterase-5. J. Chem. Theory Comput. 2015, 10, 5448-5457.
20）Shao, Y.X.; Huang, M.; Cui, W.; Feng, L.J.; Wu, Y.; Cai, Y.; Li, Z.; Zhu, X.; Liu, P.; Wan, Y.;* Ke, H.*; Luo, H.-B.* Discovery of a phosphodiesterase-9A inhibitor as a potential hypoglycemic agent. J. Med. Chem. 2014,57, 10304-130313.
21）Shang, N.N.; Shao, Y.X.; Cai, Y.H.; Guan, M.; Huang, M.; Cui, W.; He, L.; Yu, Y.J.; Huang, L.; Li, Z.; Bu, X. Z.*; Ke, H.*; Luo, H.-B.* Discovery of 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one as a phosphodiesterase-5 inhibitor and its complex crystal structure. Biochem. Pharmacol.2014, 89: 86-98.
22）Huang, Y.Y.; Li, Z.; Cai, Y.H.; Feng, L.J.; Wu, Y.; Li, X.; Luo, H.-B.* The molecular basis for the selectivity of tadalafil toward phosphodiesterase 5 and 6: A modeling study. J. Chem. Inf. Model. 2013, 53, 3044-3053. PMID: **.
23）Li, Z.; Cai, Y.H.; Cheng, Y.K.; Lu, X.; Shao, Y.X.; Li, X.; Liu, M.; Liu, P.; Luo, H.-B.* Identification of novel phosphodiesterase-4D inhibitors prescreened by molecular dynamics-augmented modeling and validated by bioassay. J. Chem. Inf. Model. 2013, 53, 972-981.PMID: **.
24）Meng, F.; Hou, J.; Shao, Y. X.; Wu, P. Y.; Huang, M.; Zhu, X.; Cai, Y. H.; Li, Z.; Xu, J.; Liu, P. Q.; Luo, H.-B.*; Wan, Y.*; Ke, H*. Structure-based discovery of highly selective phosphodiesterase-9A inhibitors and implications for inhibitor design. J. Med. Chem. 2012, 55(19): 8549-8558. PMID: **.


9.荣誉奖励
中国药学会施维雅青年药物化学奖（2014）
和中国化学会青年计算化学家奖（2019）