个人简介
于明加，博士毕业于新葡萄8883官网AMG。主要从事创新药物研究，长期致力于小分子和生物大分子化合物药物构效关系和智能药物设计的研究，在Nat. Commun.、ACS Catal.、Carbohydr. Polym.、J. Med. Chem.、Eur. J. Med. Chem.等国内外权威期刊发表论文多篇，主持中国博士后基金项目2项，国家自然基金青年基金1项，作为骨干人员参与科技部重点研发计划等科研项目。开展人工智能在生物大分子结构研究与蛋白质设计中的应用，通过大数据挖掘重大疾病相关靶蛋白，利用蛋白质互作药物设计算法模型，挖掘并阐明了系列生物大分子类药物与相关靶蛋白之间的相互作用机制，并开展基于药物与受体三维结构的药物设计和先导药物骨架的生物合成途径的发现研究，发现了多种有望发展成新药的化合物。这些创新的研究工作促进了有机化学、生命科学和计算机科学的跨学科研究。
研究领域和方向
(1)医用多糖先导化合物的设计与开发； (2)功能性蛋白类药物智能设计与优化； (3)抗病毒、抗炎等重大疾病先导化合物的设计与开发； (4)致病菌、冠状病毒感染类疾病治疗靶点挖掘； (5)靶向性绿色新农药的创制； (6)智能药物设计算法开发。
教育背景
2015.9-2019.6 新葡萄8883官网AMG，化学专业，理学博士 2012.9-2015.6 哈尔滨医科大学和武汉大学联合培养，药学专业，理学硕士 2007.9-2012.6 哈尔滨医科大学，临床药学专业，理学学士
工作履历
2024.6-至今 新葡萄8883官网AMG，特别副研究员/新药创制与绿色合成研究所副所长，博士生导师 2021.9-2024.6 新葡萄8883官网AMG，特别副研究员，硕士生导师 2019.6-2021.8 北京化工大学软物质科学与工程高精尖创新中心与乌普萨拉大学联合培养博士后（合作导师：谭天伟 教授，李晋萍 教授）
研究成果
主持项目情况： 1.2019.12-2022.11，作为项目骨干参与科技部可再生能源与氢能重点研发计划，2019YFB150059，生物质连续化制备高品质生物柴油关键技术 2.2020.9-2021.6，主持中国博士后“第67批面上资助基金”，2020M670109，理性设计硫酸乙酰肝素类药物用于新型冠状病毒感染的疾病治疗 3.2020.10-2022.6，主持中国博士后“第2批特别资助”，2020TQ0029，基于冠状病毒刺突蛋白受体结合域理性设计硫酸乙酰肝素类抗病毒药物 4.2021.12-2025.5，参与科技部国家质量基础设施体系重点研发计划，SQ2021YFF0600005，新兴生物功能性物质结构关键计量技术研究 5.2021.9-2024.9，主持新葡萄8883官网AMG青年教师学术启动计划，3100012222222，硫酸乙酰肝素类抗冠状病毒先导化合物的发现及其分子机理研究 6.2023.1-2025.12，主持国家自然科学基金青年科学基金，32201053，硫酸乙酰肝素类抗冠状病毒先导化合物的发现及其分子机理研究 7.2022.10-2024.10，主持军委科技委专项工程项目，***的生物法制造技术 8.2023.1-2025.12，参与国家自然科学基金面上基金，52271254，复合型金属微机电系统的构建及其在肿瘤类器官生长实时监测和原位基因表达调控中的应用研究 9.2023.1-2023.12，参与新葡萄8883官网AMG科技创新计划-科研基地科技支撑专项计划，3100012212314，硫酸乙酰肝素类抗冠状病毒先导化合物的发现 10.2023.11-2026.12，参与北京市自然科学基金-海淀原始创新联合基金重点研究专题项目，L232017，基于孟德尔随机化分析的多发性硬化潜在治疗药物筛选及评价 11.2024.1-2024.12，参与四川省重点研发项目，24SYSX0230，AI驱动的双作用模式新型抗菌药物研发 发表文章情况： [1]Wen Zeng, Yifei Wang, Rui Gao, Hongliang Wen* and Mingjia Yu*. Unlocking the Reverse Targeting Mechanisms of Cannabidiol: Unveiling New Therapeutic Avenues. J. Med. Chem., 2024, https://doi.org/10.1021/acs.jmedchem.4c01353. [2]Iqra Kalsoom, Kiran Shehzadi, Han-Sheng Li, Hong-Liang Wen*, Ming-Jia Yu*. Unraveling the Mechanisms of Cannabidiol's Pharmacological Actions: A Comprehensive Research Overview. Top. Curr. Chem., 2024, 382(2):20. [3]Jiao-Shuai Zhou, Hong-Liang Wen*, Ming-Jia Yu*. Mechanism Analysis of Antimicrobial Peptide NoPv1 Related to Potato Late Blight through a Computer-Aided Study. Int. J. Mol. Sci., 2024, 25(10):5312. [4]Zi-Qiang Feng, Jing Ding, Min-Zhen Zhu, Wei-Song Xie, Rui-Chen Liu, Si-Si Liu, Si-Meng Liu, Ming-Jia Yu*, Xin-Hong Zhu*, Jian-Hua Liang*. Discovery of a novel lead characterized by a stilbene-extended scaffold against sepsis as soluble epoxide hydrolase inhibitors. Eur. J. Med. Chem., 2024, 266:116113. [5]Yue Ran, Kiran Shehzadi, Jian-Hua Liang* and Ming-Jia Yu*. Rationally Designed Novel Antimicrobial Peptides Targeting Chitin Synthase for Combating Soybean Phytophthora Blight. Int. J. Mol. Sci., 2024, 25(6):3512. [6]Marco Maccarana, Binjie Li, Honglian Li, Jianping Fang, Mingjia Yu, Jin-Ping Li*. Inhibitors of dermatan sulfate epimerase 1 decreased accumulation of glycosaminoglycans in mucopolysaccharidosis type I fibroblasts. Glycobiology, 2024, 34(6):cwae025. [7]Kiran Shehzadi, Afsheen Saba, Mingjia Yu*, Jianhua Liang*. Structure-Based Drug Design of RdRp Inhibitors against SARS-CoV-2. Top. Curr. Chem., 2023, 381(5):22. [8]Tianji Zhang#, Mingjia Yu#, Honglian Li, Marco Maccarana, Wei Zhang, Deling Shi, Ying Kan, Xiao Zhang, Lianli Chi, Ulf Lindahl, Hongmei Li*, Jin-ping Li*, Tianwei Tan*. Interacting polymer-modification enzymes in heparan sulfate biosynthesis. Carbohydr. Polym., 2023, 299: 120191. [9]Kiran Shehzadi, Mingjia Yu* and Jianhua Liang*. De Novo Potent Peptide Nucleic Acid Antisense Oligomer Inhibitors Targeting SARS-CoV-2 RNA-Dependent RNA Polymerase via Structure-Guided Drug Design. Int. J. Mol. Sci., 2023, 24(24):17473. [10]Binjie Li, Tianji Zhang, Hui Cao, Vito Ferro, Jinping Li*, and Mingjia Yu*. Identification of a Pentasaccharide Lead Compound with High Affinity to the SARS-CoV-2 Spike Protein via In Silico Screening. Int. J. Mol. Sci., 2023, 24(22):16115. [11]Xiaotian Lian, Wentian Liu, Bingzhi Fan, Mingjia Yu*, and Jianhua Liang*. Design, Synthesis and Biological Evaluation of Conjugates of 3-O-Descladinose-azithromycin and Nucleobases against rRNA A2058G- or A2059G-Mutated Strains. Molecules, 2023, 28, 3: 1327. [12]Mingjia Yu, Huimin Zhao, Yuhui Miao, Shi-Zhong Luo, Song Xue*. Virtual evolution of HVEM segment for checkpoint inhibitor discovery. Int. J. Mol. Sci., 2021, 21;22(12):6638. [13]Mingjia Yu, Tianji Zhang, Wei Zhang, Qianyun Sun, Hongmei Li*, Jin-ping Li*, Elucidating the Interactions Between Heparin/Heparan Sulfate and SARS-CoV-2-Related Proteins—An Important Strategy for Developing Novel Therapeutics for the COVID-19 Pandemic. Front. Mol. Biosci., 2021, 7:628551. [14]Binjie Li, Tianji Zhang, Jin-ping Li, Ming-jia Yu*. Identification of Potential Antiviral Disaccharide Leading Compounds against SARS-CoV-2 through A Computer Aided Study. ChemBioChem, 2022, 23(24):e202200461. [15]Mingjia Yu*, Tianji Zhang, Jin Ping Li, Yingxia Tan*. Elucidating the Binding Mode between Heparin and Inflammatory Cytokines by Molecular Modeling. Chemistryopen, 2021, 10(10):966-975. [16]Ying Han, Yifan Da, Mingjia Yu, Yaping Cheng, Xin Wang, Jiale Xiong, Guoying Guo, Yan Li, Xianxing Jiang, Xiaoqing Cai*, Protein labeling approach to improve lysosomal targeting and efficacy of antibody-drug conjugates. Org. Biomol. Chem., 2020, 18(17):3229-3233. [17]Ming-jia Yu, Shi-Lu Chen*. From Alkane to Alkene: The Inert Aliphatic C−H Bond Activation Presented by Binuclear Iron Stearoyl-CoA Desaturase with a Long di-Fe Distance of 6 Å. ACS Catal., 2019, 9: 4345-4359. [18]Ming-jia Yu, Shi-Lu Chen*. Mechanism and inhibitor exploration for binuclear Mg ketol-acid reductoisomerase: targeting on the biosynthetic pathway of branched-chain amino acids. ChemBioChem, 2019, 21(3): 381-391. [19]Wenya Tian, Chenghai Sun, Mei Zheng, Jeffrey Harmer, Mingjia Yu, Yanan Zhang, Haidong Peng, Dongqing Zhu, Zixin Deng, Shi-Lu Chen, Mehdi Mobli, Xinying Jia, and Xudong Qu*, Efficient Biosynthesis of Heterodimeric C3-Aryl Pyrroloindoline Alkaloids. Nat. Commun., 2018, 9: 4428(1-9). [20]Ming-jia Yu and Shi-Lu Chen*, From NAD+ to Ni Pincer Complex: A Significant Cofactor Evolution Presented by Lactate Racemase. Chem. — Eur. J., 2017, 23(31): 7545-7557. [21]Xianyi Mei, Xiaoli Yan, Hui Zhang, Mingjia Yu, Guangqing Shen, Linjun Zhou, Zixin Deng, Chun Lei, and Xudong Qu*, Expanding the Bioactive Chemical Space of Anthrabenzoxocinones through Engineering the Highly Promiscuous Biosynthetic Modification Steps. ACS Chem. Biol., 2017, 13(1): 200-206. [22]Binjie Li, Huimin Zhao, Mingjia Yu*. Techniques for Detection of Clinical Used Heparins. International Journal of Analytical Chemistry. vol. 2021, Article ID 5543460, 11 pages, 2021. https://doi.org/10.1155/2021/5543460. [23]Mingjia Yu, Zheng Dai, Xudong Qu*, Xu Gao*, Draft Genome Sequence of Marine Bacterium Streptomyces sp. Strain CNQ431, a Producer of the Cytokine Inhibitor Splenocin. Genome Announc., 2015, 3(1) e01383-14. [24]采用smiles算法随机批量生成肝素类似物结构坐标的方法，于明加;郭霄亮;林煌;李晋萍，授权专利号：ZL202110590305.2 [25]一种含有喹诺酮的酮内酯衍生物及其制备方法和应用，梁建华;张珏铷;刘协鹏;丁静;于明加，授权专利号：ZL202210114328.0 [26]Liu Xingzhou, Yu Mingjia*, Liang Jianhua*. Research Progress on the Synthesis of Protoberberine Skeleton and its Anti-inflammatory Activity[J]. Chinese Journal of Organic Chemistry, 2023, doi: 10.6023/cjoc202209037.