朱维良

男， 上海药物研究所药物发现与设计中心， 教授/研究员/教授级高工或同等级别

学习/工作经历

1979-1983年，扬州大学化学化工学院（原扬州师范学院化学系），学士；
1983-1986年，扬州大学农学院（原江苏农学院），助教/讲师
1986-1988年，苏州大学化学系，硕士；
1989-1995年，扬州大学农学院，讲师；
1995-1998年，中国科学院上海药物研究所，博士；
1998-2004年，新加坡理工学院，Visiting Lecturer/Lecturer/Research Scientist
2004-至 今，中国科学院上海药物研究所，研究员

研究领域和兴趣

药物设计，计算生物学，计算化学

主要业绩

主要研究领域为药物设计和创新药物研发，特别专注于人工智能药物设计新方法新理论的发展，包括卤键作用及分子动力学模拟新理论新方法，以及这些理论方法在糖尿病、肿瘤及传染性疾病等重大疾病的创新药物研究方面的应用。针对糖尿病、肿瘤及传染性疾病等疾病靶标蛋白开展药物设计及结构优化研究，发现了一系列具有进一步开发前景的药物活性化合物；针对具有显著药效的中草药及其活性成分，综合应用计算模拟及数据挖掘方法，并结合药物化学及药理学技术开展创新药物研究；应用高通量计算模拟方法开展老药新用途研究。发表论文300余篇，提交发明专利及软件著作权申请80多项。分别主持了国家自然科学基金、十五国家科技攻关项目、十一五及十二五国家863课题、十二五国家重大新药创造专项子课题、十三五及十四五国家重点研发计划项目课题等一系列科研任务。

代表成果

1. Leyun Wu1, Liping Zhou1, Mengxia Mo1, Tingting Liu1, Chengkun Wu1, Chunye Gong, Kai Lu, Likun Gong*, Weiliang Zhu*, Zhijian Xu*, SARS-CoV-2 Omicron RBD shows weaker binding affinity than the currently dominant Delta variant to human ACE2. Signal Transduction and Targeted Therapy 2022, 7 (1), 8.
2. Kaijie Mu, Zhengdan Zhu, Amina Abula, Cheng Peng, Weiliang Zhu*, Zhijian Xu*, Halogen bonds exist between noncovalent ligands and natural nucleic acids. J. Med. Chem. 2022, 65 (6), 4424-4435.
3. Leyun Wu1, Cheng Peng1, Yanqing Yang, Yulong Shi, Liping Zhou, Zhijian Xu*, Weiliang Zhu*, Exploring the immune evasion of SARS-CoV-2 variant harboring E484K by molecular dynamics simulations. Briefings in Bioinformatics 2022, 23 (1).
4. Yanqing Yang1, Deshan Zhou1, Xinben Zhang1, Yulong Shi, Jiaxin Han, Liping Zhou, Leyun Wu, Minfei Ma, Jintian Li, Shaoliang Peng*, Zhijian Xu*, Weiliang Zhu*, D3AI-CoV: a deep learning platform for predicting drug targets and for virtual screening against COVID-19. Briefings in Bioinformatics 2022, 23 (3).
5. Haiguo Sun,1 Mengyu Xi,1 Qiang Jin,1 Zhengdan Zhu, Yani Zhang, Guihua Jia, Guanghao Zhu, Mengru Sun, Hongwei Zhang, Xuelian Ren, Yong Zhang, Zhijian Xu, He Huang, Jingshan Shen, Bo Li,* Guangbo Ge,* Kaixian Chen, Weiliang Zhu.* Chemo- and Site-Selective Lysine Modification of Peptides and Proteins under Native Conditions Using the Water-Soluble Zolinium. J Med Chem. 2022, 65, 17, 11840–11853.
6. Yingcong Wang1, Jing Huang1, Bo Li1, Han Xue1, Guido Tricot, Liangning Hu, Zhijian Xu, Xiaoxiang Sun, Shuaikang Chang, Lu Gao, Yi Tao, Hongwei Xu, Yongsheng Xie, Wenqin Xiao, Dandan Yu, Yuanyuan Kong, Gege Chen, Xi Sun, Fulin Lian, Naixia Zhang, Xiaosong Wu, Zhiyong Mao, Fenghuang Zhan, Weiliang Zhu* and Jumei Shi*, A Small-Molecule Inhibitor Targeting TRIP13 Suppresses Multiple Myeloma Progression, Cancer Research, 2020, 80(3), 536-548.
7. Yulong Shi1, Xinben Zhang1, Kaijie Mu1, Cheng Peng1, Zhengdan Zhu, Xiaoyu Wang, Yanqing Yang, Zhijian Xu*, Weiliang Zhu*, D3Targets-2019-nCoV: a webserver for predicting drug targets and for multi-target and multi-site based virtual screening against COVID-19. Acta Pharm Sin B 2020, 10 (7), 1239-1248.
8. Zhengdan Zhu, Zhijian Xu*, Weiliang Zhu*, Interaction Nature and Computational Methods for Halogen Bonding: A Perspective. J. Chem. Inf. Model. 2020. 60 (6), 2683-2696.
9. Kang Lu,1 Bo Li,1 Hui Zhang,1 Zhijian Xu, Dongliang Song, Lu Gao, Haiguo Sun, Liping Li, Yingcong Wang, Qilin Feng, Gege Chen, Liangning Hu, Rong Wei, Yongsheng Xie, Dandan Yu, Xiaosong Wu, Weiliang Zhu*, Jumei Shi*. A Novel Silicone Derivative of Natural Osalmid (DCZ0858) Induces Apoptosis and Cell Cycle Arrest in Diffuse Large B-cell Lymphoma via the JAK2/STAT3 Pathway. Signal Transduct Target Ther. 2020 Apr 1; 5(1): 31.
10. Zhaoqiang Chen, Xinben Zhang, Cheng Peng, Jinan Wang, Zhijian Xu,* Kaixian Chen, Jiye Shi, and Weiliang Zhu, D3Pockets: A Method and Web Server for Systematic Analysis of Protein Pocket Dynamics, J. Chem. Inf. Model.2019, 59, 3353−3358

*以上信息由高级会员个人更新和维护。