罗海彬｜海南大学｜学者主页

2026

Design, Synthesis, and Evaluation of Braylin Derivatives as Novel PDE4 Inhibitors with Anti-Inflammatory Effects

Yongdan Guo, Xue Wang, Feng Zhang, Tiansheng Zheng, Zhuo Chen, Sen Wang, Guofeng Yang, Hai-Bo Wang, Wenbo Yin, Shuheng Huang, Haibin Luo, Yi-You Huang, Deyan Wu

Pharmaceutics

DOI

2026

Discovery of a novel PDE4 inhibitor with dibenzofuran moiety from marine fungal metabolites for Alzheimer's disease therapy

Hongyuan Bian, Shuting Zhang, Shuheng Huang, Zi-Yi Jiao, Wen-Ying Wei, Rui Su, Fan Yang, Jin Liu, Yong Rao, Ying Fu, Zhong-Ping Jiang, Haibin Luo, Yi-You Huang, Wan-Di Xiong, Congjun Xu, Ling Huang

Chinese Chemical Letters

DOI

2026

Cyclic Nucleotide Phosphodiesterases: Important Therapeutic Targets

Di Wu, Shuheng Huang, Hai-Bin Luo

DOI

2025

Discovery of novel butyrylcholinesterase inhibitors for treating Alzheimer's disease

Zhi-Pei Sang, Shuheng Huang, Wanying Tan, Yujuan Ban, Ke-Ren Wang, Yu-Fan Fan, Hongsong Chen, Qiyao Zhang, Chanchan Liang, Jing Mi, Yunqi Gao, Ya Zhang, Wenmin Liu, Jian-Ta Wang, Wu Dong, Zheng-Huai Tan, Lei Tang, Haibin Luo

Acta Pharmaceutica Sinica B

DOI

2025

MolMod: a molecular modification platform for molecular property optimization via fragment-based generation.

Yao Zhou, Zhi-Pei Sang, Chao Xu, Ze Cao, Kaixiang Xiao, Qian Jia, Yutao He, Haibin Luo, Shuheng Huang

Molecular diversity

DOI

2025

Discovery of 2-oxopiperazine derivatives as novel GPX4 inhibitors for the treatment of oral cancer

Anxiang Yang, Sunkai Gu, Zi-Yi Jiao, Yuhao Feng, Hui Sun, Guanyu Yang, Ming-Hui Gao, Tao Zeng, Ben-Xin Hou, Ling Huang, Xiaokun Wang, Congjun Xu, Haibin Luo

Chinese Chemical Letters

DOI

2025

Moracin M derivative targeting PDE4 for the treatment of psoriasis

Li-Ru Chen, Deyang Wu, Sen Wang, Lingyu Wu, Youyou Chen, Baoli Li, Haibin Luo, Jian Li, Wenwen Liu

Acta Materia Medica

DOI

2025

Discovery of pinoresinol dimethyl ether as a natural PDE4 inhibitor with anti-psoriatic effects.

Xing-Fu Liu, Wenhui Gu, Yao Zhou, Lingyu Wu, Zhuo Chen, Kaixiang Xiao, Yingying Cao, Qi Wu, Ze Cao, Shuheng Huang, Baoli Li, Yi-You Huang, Haibin Luo

Bioorganic chemistry (Print)

DOI

2025

Discovery of wedelolactone from Eclipta Prostrata (L.) Linn. as a natural PDE4 inhibitor with potent anti-psoriasis effects

Lingyu Wu, Ying-Ying Wu, Shangding Yang, Si-Yu Jin, Qing Zhang, Zhong-Bin Cheng, Chaohui Wu, Yiming Hao, Ling Sun, Wenwen Liu, Dong-Lei Shi, Jian Li, Yi-You Huang, Baoli Li, Haibin Luo

Acta Materia Medica

DOI

2025

Discovery of kaempferol derivatives as novel PDE4 inhibitors for treatment of idiopathic pulmonary fibrosis

Yingying Cao, Xiye Liao, Peiluo Huang, Ruoya Lu, Qi Wu, Kaihong Zhong, Xue Wang, Xue Wang, Yixin Yang, Xingfu Liu, Jun-Jing Fan, Feilong Chen, Xiaokun Wang, Xiaokun Wang, Xixin He, Hai‐Bin Luo

European Journal of Medicinal Chemistry

DOI

2025

Structure-Based Optimization of Imidazopyridine Derivatives as Selective and Orally Bioavailable Phosphodiesterase 10A Inhibitors with Reduced Blood–Brain Barrier Penetration for the Treatment of Idiopathic Pulmonary Fibrosis

Fengcai Zhang, Yuan Han, Siqi Yao, Dongjing Yang, Jiafei Wu, Jianwen Chen, Quan Wang, Yi‐You Huang, Hai‐Bin Luo, Lei Guo

Journal of Medicinal Chemistry

DOI

2025

Artificial Intelligence-Driven Discovery of Pyrazolo[1,5- a ]pyrimidine Derivatives as Novel Phosphodiesterase 4 Inhibitors for Treating Idiopathic Pulmonary Fibrosis

Zheng Li, Wanting Huan, Xingfu Liu, Kai Zhang, Xue Wang, Yi‐You Huang, Qian Zhou, Shuheng Huang, Zhipei Sang, Hai‐Bin Luo

Journal of Medicinal Chemistry

DOI

2025

#2303 PDE5 inhibitor LW1646 improves kidney fibrosis by alleviating ER stress and mitochondrial calcium overload

Minghui Wang, Long Xu, Xiaoduo Zhao, Deyan Wu, Qinghua Liu, Chunling Li, Hai‐Bin Luo, Weidong Wang

Nephrology Dialysis Transplantation

DOI

2025

Discovery of Selective PDE1 Inhibitors Alleviating Pulmonary Fibrosis by the Regulation of TGF-β/Smads and MAPK Pathways

Mei-Yan Jiang, Qian Zhou, Xiao-Long Tian, Jianing Zhang, Zhao-Hang Xue, Chen Zhang, Hai‐Bin Luo, Yinuo Wu

Journal of Medicinal Chemistry

DOI

2025

Discovery of novel azetidine-based imidazopyridines as selective and orally bioavailable inhibitors of phosphodiesterase 10A for the treatment of pulmonary arterial hypertension

Hongzhe Huang, Huanxin Xue, Anqi Cai, Yuan Han, Yufen Yao, Runduo Liu, Yi Yang, Quan Wang, Quan Wang, Zhe Li, Ting Liu, Yi‐You Huang, Wei Dai, Hai‐Bin Luo, Xiaozhou Zou, Xiaoying Wang, Lei Guo

European Journal of Medicinal Chemistry

DOI

2025

Structure-Based Optimization of Moracin M as Potent and Selective PDE4 Inhibitors with Antipsoriasis Effects

Furong Zhang, Tiansheng Zheng, Xue Wang, Yu Chen, Feng Zhang, Xingfu Liu, Sen Wang, Guofeng Yang, Shenghong Xie, Qi Wu, Chao Xu, Qian Zhou, Deyan Wu, Hai‐Bin Luo, Yi‐You Huang

Journal of Medicinal Chemistry

DOI

2025

State Function-Based Correction: A Simple and Efficient Free-Energy Correction Algorithm for Large-Scale Relative Binding Free-Energy Calculations

Runduo Liu, Yijun Lai, Yufen Yao, Wanyi Huang, Yilin Zhong, Hai‐Bin Luo, Zhe Li

The Journal of Physical Chemistry Letters

DOI

2025

Discovery of α-mangostin derivatives as novel PDE4 inhibitors for the treatment of Alzheimer's disease: An artificial intelligence-driven synergized strategy

Zhipei Sang, Teng Xue, Qian-Ru Xing, Qi-Yao Zhang, Hongsong Chen, Xue Wang, Furong Zhang, Wen-Ling Fu, Wu Dong, Shuheng Huang, Yi‐You Huang, Hai‐Bin Luo

Chinese Chemical Letters

DOI

2025

Plasma metabolites-based drug design: Discovery of novel and highly selective phosphodiesterase 5 inhibitors

Deyan Wu, Qingjie Ma, Yan-Quan Chen, Guofeng Yang, Fengcai Zhang, Meiyan Jiang, Xue Wang, Xingfu Liu, Qian Zhou, Yi‐You Huang, Zhe Li, Hai‐Bin Luo

Chinese Chemical Letters

DOI

2025

Divide-and-Conquer ABFE: Improving Free Energy Calculations by Enhancing Water Sampling

Runduo Liu, Yufen Yao, Wanyi Huang, Yilin Zhong, Hai‐Bin Luo, Zhe Li

Journal of Chemical Theory and Computation

DOI

2025

3D-EDiffMG: 3D equivariant diffusion-driven molecular generation to accelerate drug discovery

Chao Xu, Runduo Liu, Yufen Yao, Wanyi Huang, Zhe Li, Hai‐Bin Luo

Journal of Pharmaceutical Analysis

DOI

2025

Hydroxychavicol derivatives from Piper betle Linn. as natural PDE4 inhibitors with anti-inflammatory effects

Jiazhi Ou, Fang Zhong, Peiluo Huang, Yan Zhang, Shenghong Xie, Peng Wu, Junyi Li, Haihang Qiu, Chunying Wang, Yi‐You Huang, Qian Zhou, Zhongbin Cheng, Hai‐Bin Luo

Bioorganic Chemistry

DOI

2024

Discovery of Selective PDE1 Inhibitors with Anti-pulmonary Fibrosis Effects by Targeting the Metal Pocket

Mei-Yan Jiang, Chen Zhang, Qinghua Huang, Lingling Feng, Yiyi Yang, Qian Zhou, Hai‐Bin Luo, Yinuo Wu

Journal of Medicinal Chemistry

DOI

2024

Discovery of highly potent phosphodiesterase-1 inhibitors by a combined-structure free energy perturbation approach

Zhe Li, Meiyan Jiang, Runduo Liu, Quan Wang, Qian Zhou, Yi‐You Huang, Yinuo Wu, Chang‐Guo Zhan, Hai‐Bin Luo

Acta Pharmaceutica Sinica B

DOI

2024

Design, Synthesis, and Evaluation of Dihydropyrimidine Derivatives as Selective PDE1 Inhibitors for the Treatment of Liver Fibrosis

Zheng-Jiong Zhao, Mei-Yan Jiang, Mengxing Huang, Yiyi Yang, Lingling Feng, Chen Zhang, Yi‐You Huang, Hai‐Bin Luo, Yinuo Wu

Journal of Medicinal Chemistry

DOI

2024

Inhalable Carbonyl Sulfide Donor-Hybridized Selective Phosphodiesterase 10A Inhibitor for Treating Idiopathic Pulmonary Fibrosis by Inhibiting Tumor Growth Factor-β Signaling and Activating the cAMP/Protein Kinase A/cAMP Response Element-Binding Protein (CREB)/p53 Axis

Quan Wang, Xinyue Liu, Yuan Han, Fengcai Zhang, Jiafei Wu, Dongjing Yang, Qian Jiang, Yi‐You Huang, Guihong Chai, Hai‐Bin Luo, Lei Guo

ACS Pharmacology & Translational Science

DOI

2024

Platycladus orientalis (L.) Franco demonstrates effective anti-psoriasis effects by inhibiting PDE4 with favorable safety profiles

Qing Hua Zhang, Ling Sun, Lingyu Wu, Xue Wang, Liru Chen, Youyou Chen, Yuhang Liu, Wenhui Gu, Donglei Shi, Wenwen Liu, Jian Li, Jian Li, Yi‐You Huang, Baoli Li, Hai‐Bin Luo

Chinese Chemical Letters

DOI

2024

RED-E-Function-Based Equilibrium Parameter Finder: Finding the Best Restraint Parameters in Absolute Binding Free Energy Calculations

Wanyi Huang, Runduo Liu, Yufen Yao, Yijun Lai, Hai‐Bin Luo, Zhe Li

The Journal of Physical Chemistry Letters

DOI

2024

Structure-based optimization of isoaurostatin as novel PDE4 inhibitors with anti-fibrotic effects

Yi‐You Huang, Xiang Luo, Xiang Luo, Kai Zhang, Yulan Liang, Furong Zhang, Guochao Liao, Shenghong Xie, Pei-Luo Huang, Siyu Hou, Qian Zhou, Yong Zou, Hai‐Bin Luo

Chinese Chemical Letters

DOI

2024

Discovery and optimization of 4-(imidazo[1,2-a]pyrimidin-3-yl)thiazol-2-amine derivatives as novel phosphodiesterase 4 inhibitors

Zongmin Wu, Furong Zhang, Zhexin Chen, Xue Wang, Xingfu Liu, Guofeng Yang, Sen Wang, Shuheng Huang, Hai‐Bin Luo, Yi‐You Huang, Deyan Wu

Molecular Diversity

DOI

2024

Convergence-Adaptive Roundtrip Method Enables Rapid and Accurate FEP Calculations

Yufen Yao, Runduo Liu, Wenchao Li, Wanyi Huang, Yijun Lai, Hai‐Bin Luo, Zhe Li

Journal of Chemical Theory and Computation

DOI

2024

Discovery of Oxidized p -Terphenyls as Phosphodiesterase 4 Inhibitors from Marine-Derived Fungi

Jian Rong Cai, Qian Zhou, Xin Qi, Furong Zhang, Jiafan Yang, Chunmei Chen, Kai Zhang, Zhexin Chen, Hai‐Bin Luo, Yonghong Liu, Yi‐You Huang, Xuefeng Zhou

Journal of Natural Products

DOI

2024

Discovery of 3-trifluoromethyl-substituted pyrazoles as selective phosphodiesterase 10A inhibitors for orally attenuating isoprenaline-induced cardiac hypertrophy

Yuan Han, Fengcai Zhang, Hongzhe Huang, Jiafei Wu, Yi Yang, Wanyi Huang, Dongjing Yang, Zhuoming Li, Zhe Li, Ling Huang, Yi-You Huang, Hai‐Bin Luo, Lei Guo

Chinese Chemical Letters

DOI

2024

Discovery of amentoflavone as a natural PDE4 inhibitor with anti-fibrotic effects

Zhexin Chen, Yuqing Shi, Fang Zhong, Kai Zhang, Furong Zhang, Shenghong Xie, Zhongbin Cheng, Qian Zhou, Yi‐You Huang, Hai‐Bin Luo

Chinese Chemical Letters

DOI

2023

Accelerating and Automating the Free Energy Perturbation Absolute Binding Free Energy Calculation with the RED-E Function

Runduo Liu, Wenchao Li, Yufen Yao, Yinuo Wu, Hai‐Bin Luo, Zhe Li

Journal of Chemical Information and Modeling

DOI

2023

Identification of Novel Quinolin-2(1H)-ones as Phosphodiesterase 1 Inhibitors for the Treatment of Inflammatory Bowel Disease

Bei Zhang, Yiyi Yang, Zheng-Jiong Zhao, Runduo Liu, Lingling Feng, Mei-Yan Jiang, Yijun Yuan, Shuheng Huang, Zhe Li, Quan Wang, Hai‐Bin Luo, Yinuo Wu

Journal of Medicinal Chemistry

DOI

2023

3D-SMGE: a pipeline for scaffold-based molecular generation and evaluation

Chao Xu, Runduo Liu, Shuheng Huang, Wenchao Li, Zhe Li, Hai‐Bin Luo

Briefings in Bioinformatics

DOI

2022

α-倒捻子素衍生物合成及其抑制磷酸二酯酶4活性研究

邓金辉，黄悦，梁津豪，朱嘉琪，于思，刘昊柏，罗海彬，黄仪有，何细新

《中山大学学报(自然科学版)(中英文)》

2022

Discovery of novel phosphodiesterase-1 inhibitors for curing vascular dementia: Suppression of neuroinflammation by blocking NF-κB transcription regulation and activating cAMP/CREB axis

Qian Zhou, Mei-Ling Le, Yiyi Yang, Wenjuan Wang, Yuqi Huang, Quan Wang, Yi‐Jing Tian, Mei-Yan Jiang, Yong Rao, Hai‐Bin Luo, Yinuo Wu

Acta Pharmaceutica Sinica B

DOI

2022

Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases

Haobai Liu, Quan Wang, Yue Huang, Yue Huang, Jinhui Deng, Xi Sheng Xie, Jiaqi Zhu, Yijun Yuan, Yueming He, Yi‐You Huang, Yi‐You Huang, Hai‐Bin Luo, Xixin He

European Journal of Medicinal Chemistry

DOI

2022

Structural Modifications of Nimodipine Lead to Novel PDE1 Inhibitors with Anti-pulmonary Fibrosis Effects

Mengxing Huang, Yi‐Jing Tian, Chuan Han, Runduo Liu, Xi Sheng Xie, Yijun Yuan, Yiyi Yang, Zhe Li, Jianwen Chen, Hai‐Bin Luo, Yinuo Wu

Journal of Medicinal Chemistry

DOI

2022

Structure-based discovery of orally efficient inhibitors via unique interactions with H-pocket of PDE8 for the treatment of vascular dementia

Xu-Nian Wu, Qian Zhou, Ya-Dan Huang, Xi Sheng Xie, Zhe Li, Yinuo Wu, Hai‐Bin Luo

Acta Pharmaceutica Sinica B

DOI

2022

Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis

Zhendong Song, Yi‐You Huang, Ke‐Qiang Hou, Lu Liu, Feng Zhou, Yue Huang, Guohui Wan, Hai‐Bin Luo, Xiao‐Feng Xiong

Journal of Medicinal Chemistry

DOI

2022

A Newly Synthesized Specific PDE5a Inhibitor LW1646 Attenuated Lipid‐Induced Kidney Injuries through Inhibiting Endoplasmic Reticulum Stress

Xiaoduo Zhao, Yonglun Kong, Suchun Li, Baien Liang, Deyan Wu, Hai-Bin Luo, Chunling Li, Weidong Wang

The FASEB Journal

DOI

2022

Free energy perturbation–based large-scale virtual screening for effective drug discovery against COVID-19

Zhe Li, Chengkun Wu, Yishui Li, Runduo Liu, Kai Lü, Ruibo Wang, Jie Liu, Chunye Gong, Canqun Yang, Xin Wang, Chang‐Guo Zhan, Hai‐Bin Luo

The International Journal of High Performance Computing Applications

DOI

2022

Structure-based optimization of Toddacoumalone as highly potent and selective PDE4 inhibitors with anti-inflammatory effects

Feng Zhou, Yue Huang, Yue Huang, Lu Liu, Zhendong Song, Ke‐Qiang Hou, Yifan Yang, Hai‐Bin Luo, Yi-You Huang, Yi-You Huang, Xiao‐Feng Xiong

Biochemical Pharmacology

DOI

2022

α-mangostin derivative 4e as a PDE4 inhibitor promote proteasomal degradation of alpha-synuclein in Parkinson's disease models through PKA activation

Jiayue Chen, Qi Zhu, Cui-Zan Cai, Hai‐Bin Luo, Jiahong Lu

Phytomedicine

DOI

2021

Discovery of a highly specific 18F-labeled PET ligand for phosphodiesterase 10A enabled by novel spirocyclic iodonium ylide radiofluorination

Zhiwei Xiao, Huiyi Wei, Yi Xu, Ahmed Haider, Junjie Wei, Shiyu Yuan, Jian Rong, Chunyu Zhao, Guocong Li, Wei‐Bin Zhang, Huangcan Chen, Yuefeng Li, Lingling Zhang, Jiyun Sun, Shaojuan Zhang, Hai‐Bin Luo, Sen Yan, Qijun Cai, Lu Hou, Chao Che, Steven H. Liang, Lu Wang

Acta Pharmaceutica Sinica B

DOI

2021

Free energy perturbation (FEP)-guided scaffold hopping

Deyan Wu, Xuehua Zheng, Runduo Liu, Zhe Li, Zan Jiang, Qian Zhou, Yue Huang, Yue Huang, Xu-Nian Wu, Chen Zhang, Yi‐You Huang, Yi‐You Huang, Hai‐Bin Luo

Acta Pharmaceutica Sinica B

DOI

2021

Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety

Yi‐You Huang, Jinhui Deng, Yi‐Jing Tian, Jinhao Liang, Xi Sheng Xie, Yue Huang, Jiaqi Zhu, Ziran Zhu, Qian Zhou, Xixin He, Hai‐Bin Luo

Journal of Medicinal Chemistry

DOI

2021

Discovery of Potent Phosphodiesterase-9 Inhibitors for the Treatment of Hepatic Fibrosis

Yinuo Wu, Quan Wang, Mei-Yan Jiang, Yi‐You Huang, Ziran Zhu, Chuan Han, Yi‐Jing Tian, Bei Zhang, Hai‐Bin Luo

Journal of Medicinal Chemistry

DOI

2021

Perspective of drug design with high-performance computing

Zhe Li, Hui Li, Kunqian Yu, Hai‐Bin Luo

National Science Review

DOI

2021

Discovery of catalytic-site-fluorescent probes for tracing phosphodiesterase 5 in living cells

Meiying Qiu, Deyan Wu, Yi‐You Huang, Yue Huang, Qian Zhou, Yi‐Jing Tian, Lei Guo, Yuqi Gao, Hai‐Bin Luo

RSC Advances

DOI

2020

Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors

Ya-Dan Huang, Xu-Nian Wu, Qian Zhou, Yinuo Wu, Dongxiao Zheng, Zhe Li, Lei Guo, Hai‐Bin Luo

Journal of Medicinal Chemistry

DOI

2020

Discovery of Evodiamine Derivatives as Highly Selective PDE5 Inhibitors Targeting a Unique Allosteric Pocket

Tianhua Zhang, Zengwei Lai, Suying Yuan, Yi‐You Huang, Guoqiang Dong, Chunquan Sheng, Hengming Ke, Hai‐Bin Luo

Journal of Medicinal Chemistry

DOI

2018

磷酸二酯酶天然抑制剂的研究进展

雷玉，梁津豪，罗海彬，何细新

《中草药》

2017

不同产地枇杷叶粗提物抑制磷酸二酯酶4活性研究

谭冰心，黄仪有，彭光天，罗海彬，于思，郭晓蕾，何细新

《药物评价研究》

2017

新型磷酸二酯酶特异性抑制剂的发现及识别机制

赖增伟，吴德燕，张天华，黄仪有，李哲，吴一诺，罗海彬

《中国药理学与毒理学杂志》

2015

14种紫珠属植物醇提取物抑制磷酸二酯酶4活性初探

杨璐，张天华，白旭，吴一诺，罗海彬，谢丽霞，何细新，彭光天

《广东药科大学学报》

2012

嘧啶类CDK1激酶抑制剂的三维定量构效关系

罗海彬，陈国文，邵咏贤，李哲，刘明，刘培庆

《深圳大学学报(理工版)》

2012

GSK-3抑制剂药效团模型的构建

吕杨，蒋勇军，潘善飞，代娜，罗海彬

《浙江大学学报(理学版)》

2012

10种常用平喘中药对磷酸二酯酶4抑制作用的研究

蔡颖红，曹志远，谢丽霞，罗海彬，张翠仙，何细新

《药物评价研究》

2011

芹菜素和山萘酚对细胞色素CYP 1A2抑制机理研究

刘明，何琳，徐峻，黄民，罗海彬

《计算机与应用化学》

2009

黄酮类醛糖还原酶抑制剂的定量构效关系研究(英文)

徐洁，侯静，何琳，刘明，罗海彬

《计算机与应用化学》

2009

苯并呋喃类组胺H3受体拮抗剂的构效关系研究

罗敏贤，刘明，陈芸芸，罗海彬

《计算机与应用化学》

DOI

2009

2-苯基4-吡喃酮类COX-2抑制剂的三维构效关系研究

罗敏贤，徐洁，胡小鹏，罗海彬

《中山大学学报(自然科学版)(中英文)》

2008

黄酮类化合物对细胞色素P450 CYP1A2的抑制作用及其构效关系研究

李建康，和凡，毕惠嫦，左中，刘柏东，罗海彬，黄民

《药学学报》

2003

病毒3CL蛋白酶三维结构模型及其抑制剂的虚拟筛选(英文)

熊斌，桂春山，徐小英，罗成，陈静，罗海彬，陈莉莉，李国伟，孙涛，余长缨，岳莉多，段文虎，沈竞康，秦磊，石铁流，李亦学，陈凯先，罗小民，沈旭，沈建华，蒋华良

Acta Pharmacologica Sinica

精选作品

期刊论文

Design, Synthesis, and Evaluation of Braylin Derivatives as Novel PDE4 Inhibitors with Anti-Inflammatory Effects

Discovery of a novel PDE4 inhibitor with dibenzofuran moiety from marine fungal metabolites for Alzheimer's disease therapy

Cyclic Nucleotide Phosphodiesterases: Important Therapeutic Targets

Discovery of novel butyrylcholinesterase inhibitors for treating Alzheimer's disease

MolMod: a molecular modification platform for molecular property optimization via fragment-based generation.

Discovery of 2-oxopiperazine derivatives as novel GPX4 inhibitors for the treatment of oral cancer

Moracin M derivative targeting PDE4 for the treatment of psoriasis

Discovery of pinoresinol dimethyl ether as a natural PDE4 inhibitor with anti-psoriatic effects.

Discovery of wedelolactone from Eclipta Prostrata (L.) Linn. as a natural PDE4 inhibitor with potent anti-psoriasis effects

Discovery of kaempferol derivatives as novel PDE4 inhibitors for treatment of idiopathic pulmonary fibrosis

Structure-Based Optimization of Imidazopyridine Derivatives as Selective and Orally Bioavailable Phosphodiesterase 10A Inhibitors with Reduced Blood–Brain Barrier Penetration for the Treatment of Idiopathic Pulmonary Fibrosis

Artificial Intelligence-Driven Discovery of Pyrazolo[1,5- a ]pyrimidine Derivatives as Novel Phosphodiesterase 4 Inhibitors for Treating Idiopathic Pulmonary Fibrosis

#2303 PDE5 inhibitor LW1646 improves kidney fibrosis by alleviating ER stress and mitochondrial calcium overload

Discovery of Selective PDE1 Inhibitors Alleviating Pulmonary Fibrosis by the Regulation of TGF-β/Smads and MAPK Pathways

Discovery of novel azetidine-based imidazopyridines as selective and orally bioavailable inhibitors of phosphodiesterase 10A for the treatment of pulmonary arterial hypertension

Structure-Based Optimization of Moracin M as Potent and Selective PDE4 Inhibitors with Antipsoriasis Effects

State Function-Based Correction: A Simple and Efficient Free-Energy Correction Algorithm for Large-Scale Relative Binding Free-Energy Calculations

Discovery of α-mangostin derivatives as novel PDE4 inhibitors for the treatment of Alzheimer's disease: An artificial intelligence-driven synergized strategy

Plasma metabolites-based drug design: Discovery of novel and highly selective phosphodiesterase 5 inhibitors

Divide-and-Conquer ABFE: Improving Free Energy Calculations by Enhancing Water Sampling

3D-EDiffMG: 3D equivariant diffusion-driven molecular generation to accelerate drug discovery

Hydroxychavicol derivatives from Piper betle Linn. as natural PDE4 inhibitors with anti-inflammatory effects

Discovery of Selective PDE1 Inhibitors with Anti-pulmonary Fibrosis Effects by Targeting the Metal Pocket

Discovery of highly potent phosphodiesterase-1 inhibitors by a combined-structure free energy perturbation approach

Design, Synthesis, and Evaluation of Dihydropyrimidine Derivatives as Selective PDE1 Inhibitors for the Treatment of Liver Fibrosis

Inhalable Carbonyl Sulfide Donor-Hybridized Selective Phosphodiesterase 10A Inhibitor for Treating Idiopathic Pulmonary Fibrosis by Inhibiting Tumor Growth Factor-β Signaling and Activating the cAMP/Protein Kinase A/cAMP Response Element-Binding Protein (CREB)/p53 Axis

Platycladus orientalis (L.) Franco demonstrates effective anti-psoriasis effects by inhibiting PDE4 with favorable safety profiles

RED-E-Function-Based Equilibrium Parameter Finder: Finding the Best Restraint Parameters in Absolute Binding Free Energy Calculations

Structure-based optimization of isoaurostatin as novel PDE4 inhibitors with anti-fibrotic effects

Discovery and optimization of 4-(imidazo[1,2-a]pyrimidin-3-yl)thiazol-2-amine derivatives as novel phosphodiesterase 4 inhibitors

Convergence-Adaptive Roundtrip Method Enables Rapid and Accurate FEP Calculations

Discovery of Oxidized p -Terphenyls as Phosphodiesterase 4 Inhibitors from Marine-Derived Fungi

Discovery of 3-trifluoromethyl-substituted pyrazoles as selective phosphodiesterase 10A inhibitors for orally attenuating isoprenaline-induced cardiac hypertrophy

Discovery of amentoflavone as a natural PDE4 inhibitor with anti-fibrotic effects

Accelerating and Automating the Free Energy Perturbation Absolute Binding Free Energy Calculation with the RED-E Function

Identification of Novel Quinolin-2(1H)-ones as Phosphodiesterase 1 Inhibitors for the Treatment of Inflammatory Bowel Disease

3D-SMGE: a pipeline for scaffold-based molecular generation and evaluation

α-倒捻子素衍生物合成及其抑制磷酸二酯酶4活性研究

Discovery of novel phosphodiesterase-1 inhibitors for curing vascular dementia: Suppression of neuroinflammation by blocking NF-κB transcription regulation and activating cAMP/CREB axis

Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases

Structural Modifications of Nimodipine Lead to Novel PDE1 Inhibitors with Anti-pulmonary Fibrosis Effects

Structure-based discovery of orally efficient inhibitors via unique interactions with H-pocket of PDE8 for the treatment of vascular dementia

Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis

A Newly Synthesized Specific PDE5a Inhibitor LW1646 Attenuated Lipid‐Induced Kidney Injuries through Inhibiting Endoplasmic Reticulum Stress

Free energy perturbation–based large-scale virtual screening for effective drug discovery against COVID-19

Structure-based optimization of Toddacoumalone as highly potent and selective PDE4 inhibitors with anti-inflammatory effects

α-mangostin derivative 4e as a PDE4 inhibitor promote proteasomal degradation of alpha-synuclein in Parkinson's disease models through PKA activation

Discovery of a highly specific 18F-labeled PET ligand for phosphodiesterase 10A enabled by novel spirocyclic iodonium ylide radiofluorination

Free energy perturbation (FEP)-guided scaffold hopping

Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety

Discovery of Potent Phosphodiesterase-9 Inhibitors for the Treatment of Hepatic Fibrosis

Perspective of drug design with high-performance computing

Discovery of catalytic-site-fluorescent probes for tracing phosphodiesterase 5 in living cells

Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors

Discovery of Evodiamine Derivatives as Highly Selective PDE5 Inhibitors Targeting a Unique Allosteric Pocket

磷酸二酯酶天然抑制剂的研究进展

不同产地枇杷叶粗提物抑制磷酸二酯酶4活性研究

新型磷酸二酯酶特异性抑制剂的发现及识别机制

14种紫珠属植物醇提取物抑制磷酸二酯酶4活性初探

嘧啶类CDK1激酶抑制剂的三维定量构效关系

GSK-3抑制剂药效团模型的构建

10种常用平喘中药对磷酸二酯酶4抑制作用的研究

芹菜素和山萘酚对细胞色素CYP 1A2抑制机理研究

黄酮类醛糖还原酶抑制剂的定量构效关系研究(英文)

苯并呋喃类组胺H3受体拮抗剂的构效关系研究

2-苯基4-吡喃酮类COX-2抑制剂的三维构效关系研究

黄酮类化合物对细胞色素P450 CYP1A2的抑制作用及其构效关系研究

病毒3CL蛋白酶三维结构模型及其抑制剂的虚拟筛选(英文)

会议论文

磷酸二酯酶高选择性性抑制剂的发现策略

高斯函数增强的自由能微扰方法（GA-FEP）的开发及其在药物设计中的应用

桑枝中异戊烯基化黄酮作为磷酸二酯酶4(PDE4)天然抑制剂

PDE4天然抑制剂的发现

桑白皮中Diels-Alder型加合物及其抑制PDE4活性

磷酸二酯酶PDE4靶向抑制剂(白藜芦醇类似物)的发现及其作用机制研究

抗阿尔茨海默病新靶点药物—PDE9高选择性抑制剂的发现及作用机制研究

常用平喘中药抑制磷酸二酯酶4(PDE4)活性及药效物质研究

两种抗老年性痴呆中草药及其活性成分的分子作用机制研究