朱启华｜中国药科大学｜学者主页

2026

ChalcoVina: Enhancing Molecular Docking Accuracy by Incorporating Chalcogen Bond-Aware Scoring

Wenhao Cai, Ziyue Li, Yijie Wang, Wei Jie Yu, Yu Sun, Yungen Xu, Qihua Zhu, Yi Zou

Journal of Chemical Information and Modeling

2026

Discovery of Highly Potent Phthalazinone Derivatives as PARP14 Inhibitors: From Structure-Based Virtual Screening to In Vivo Pharmacodynamic Activity

Shiqi Wu, Kaiyuan Cong, Jing Liu, Le Qu, Xiaorong Zeng, Xiangying Kong, Ziyue Li, Shaoxue Lou, Ping Wei, Li Shao, Hongfeng Gu, Yan Zhao, Qinlong Xu, Zhaoxing Chu, Guangwei He, Qihua Zhu, Yungen Xu, Yi Zou

Journal of Medicinal Chemistry

DOI

2026

Discovery of Novel and Potent Dual PARP1/ERK Inhibitors as a Promising Strategy for Cancer Therapy

Ying Bai, Shiqi Wu, Wenhui Zhang, Yuehua Chen, Wenxin Yan, Lei Huang, Jing Liu, Zhaohui. Guan, Yupei Su, Dongqing Guo, Yuchen Bian, Kaiyuan Cong, Yi Zou, Haiping Hao, Qihua Zhu, Hao Wang, Yungen Xu

Journal of Medicinal Chemistry

DOI

2026

Discovery of Novel Orally Bioavailable Polθ Inhibitors with Arylalkyne Scaffolds for Targeting HR-Deficient Cancers

Jinyang Zhang, Xiaomeng Sun, Qichen Zhou, Y. Wei, Biao Chen, Junhui Jiao, Yingxiang Du, Shepherd Wufoyrwoth, Haoze Chi, Yijun Yang, Ping Wei, Yungen Xu, Yi Zou, Qihua Zhu

Journal of Medicinal Chemistry

DOI

2026

Discovery of Oxime Ether Derivatives as Second-Generation PRMT5 Inhibitors for the Treatment of Triple Negative Breast Cancer

Xingxing Cheng, Zheqi Hu, Huihuan Mao, Ziyue Li, Zhen Wang, Yixuan Tang, Shihui Huang, Yujing Huang, Chunxiang Yin, Hanxi Xing, Sijia Chen, Yuhan Jiang, Ting Hu, Jiawen Zuo, Wenxin Yan, Hongfeng Gu, Ping Wei, Yungen Xu, Qihua Zhu, Yi Zou

Journal of Medicinal Chemistry

DOI

2025

第二代蛋白精氨酸甲基转移酶5抑制剂的研究进展

胡浙棋，尹春香，毛慧欢，常艺清，朱启华，徐云根，龚国清，邹毅

《中国药科大学学报》

2025

基于QbD理念的药物合成工艺课程教学方法探讨

古宏峰，朱启华，徐云根

《药学教育》

DOI

2025

异吲哚啉酮类ERK抑制剂的设计、合成及初步生物活性研究

张灵芝，鞠秋荣，管哲，朱启华，张婷婷，杨诗勤，徐云根

《高等学校化学学报》

2025

Discovery of PKMYT1 Inhibitors with a Novel Scaffold for the Treatment of Triple-Negative Breast Cancer

Jingling Huang, Peixuan Li, Feihuang Qiu, Yingming Fu, Wenxin Yan, Yongling Xu, Yongling Xu, Xinyu Sun, Xiuhua Zhang, Yi Zou, Qihua Zhu, Yungen Xu, Yungen Xu, Hongfeng Gu

Journal of Medicinal Chemistry

DOI

2025

Novel 3-n-butylphthalide derivatives as potent multi-functional anti-IS agents with BBB protective function

Li Shao, Gaofeng Lin, Zhaoxing Chu, Jiajia Mo, Qinlong Xu, Yan Zhao, Qihua Zhu, Shiqi Wu, Shaoyun Yue, Xiaodong Ma, Guangwei He, Jiaming Li

Bioorganic Chemistry

DOI

2025

Characterization of Protein–Ligand Chalcogen Bonds: Insights from Database Survey and Quantum Mechanics Calculations

Wenhao Cai, Ziyue Li, Wangchen Zhou, Hongli Chen, Yungen Xu, Qihua Zhu, Yi Zou

Journal of Chemical Information and Modeling

DOI

2025

Discovery of Orally Potent Small-Molecule CD73 Inhibitor for Cancer Immunotherapy

Lifang Cen, Weijie Ren, Jiaojiao Yu, Ming Cheng, Xiangying Kong, Wenxin Yan, Luhua Wang, Xinyue Li, Jing Liu, Zhen Wang, Shiqi Wu, Xiaomeng Sun, Ping Wei, Hongfeng Gu, Qihua Zhu, Yi Zou, Yungen Xu

Journal of Medicinal Chemistry

DOI

2025

Discovery and Optimization of Potent and Highly Selective PARP14 Inhibitors for the Treatment of Atopic Dermatitis

Shiqi Wu, Xingrong Zeng, Jing Liu, Kaiyuan Cong, Shaoxue Lou, Ziyue Li, Ping Wei, Li Shao, Yaoyao Zhang, Le Qu, Tizhi Wu, Hongfeng Gu, Yan Daniel Zhao, Zhaoxing Chu, Qihua Zhu, Guangwei He, Yi Zou, Yungen Xu

Journal of Medicinal Chemistry

DOI

2025

Discovery and Optimization of Novel Apo-IDO1 Inhibitors by a Pharmacophore-Based Structural Simplification Strategy

Lifang Cen, Yunze Wu, Mingchao He, Jingling Huang, Weijie Ren, Beibei Liu, Liu-Qiong Meng, Lei Huang, Hongfeng Gu, Yungen Xu, Qihua Zhu, Yi Zou

Journal of Medicinal Chemistry

DOI

2024

人工智能技术在先导化合物发现与优化中的应用进展

李紫玥，丛开源，吴诗琪，朱启华，徐云根，邹毅

《药学学报》

2024

Rational Design of PARP1/c-Met Dual Inhibitors for Overcoming PARP1 Inhibitor Resistance Induced by c-Met Overexpression

Zeren Sun, Lanjie Li, Bingxin Zhai, Mengxuan Hu, Lei Haley Huang, Shihui Huang, Ye Liu, Xiangying Kong, Jie Cheng Xu, Jie Bai, Jingjie Yan, Qichen Zhou, Zheqi Hu, Yuchen Zhang, Yuhan Jiang, Yan Zhang, Qiao Zhou, Yi Zou, Yungen Xu, Qihua Zhu

Journal of Medicinal Chemistry

DOI

2024

Design, Synthesis, and Biological Evaluation of Pierardine Derivatives as Novel Brain-Penetrant and In Vivo Potent NMDAR-GluN2B Antagonists for Ischemic Stroke Treatment

Gaofeng Lin, Qinlong Xu, Jiaming Li, Zhaoxing Chu, Xiaodong Ma, Qihua Zhu, Yan Zhao, Jiajia Mo, Wenfeng Ye, Li Shao, Tao Fang, Minghan He, Shaoyun Yue, Mingqi Dai

Journal of Medicinal Chemistry

DOI

2023

PARP-1/PI3K双靶点抑制剂的设计、合成与生物活性

黄至诚，叶柳，杜宇，古宏峰，高凡云，朱启华，徐云根

《中国药科大学学报》

2023

新型1,2,3-三氮唑类衍生物的合成及抗炎活性研究

孙泽人，翟冰新，何光超，沈慧，陈琳雅，张杉，邹毅，朱启华，徐云根

《有机化学》

2023

Design, Synthesis, and Biological Evaluation of Potent and Selective Inhibitors of Ataxia Telangiectasia Mutated and Rad3-Related (ATR) Kinase for the Efficient Treatment of Cancer

Jialu Shao, Lei Haley Huang, Wenwen Lai, Yi Zou, Qihua Zhu

Molecules

DOI

2022

Design, Synthesis and Biological Evaluation of Novel and Potent Protein Arginine Methyltransferases 5 Inhibitors for Cancer Therapy

Yixuan Tang, Shihui Huang, Xingxing Chen, Junzhang Huang, Qianwen Lin, Lei Huang, Shu‐Ping Wang, Qihua Zhu, Yungen Xu, Yi Zou

Molecules

DOI

2021

Discovery of novel brain-penetrant GluN2B NMDAR antagonists via pharmacophore-merging strategy as anti-stroke therapeutic agents

Qinlong Xu, Mengqi Hu, Jiaming Li, Xiaodong Ma, Zhaoxing Chu, Qihua Zhu, Yanchun Zhang, Panhu Zhu, Yuanzheng Huang, Guangwei He

European Journal of Medicinal Chemistry

DOI

2021

Direct Phase‐Transition Catalysed Monohalogenation of 8‐Amidoquinolines at C5 Position in Water

Xin He, Yujia Jiang, Haiping Zhou, Qihua Zhu

ChemistrySelect

DOI

2020

1-（取代）苯磺酰基-3-烷胺基甲基吲哚衍生物的设计合成及其抑酸活性研究

何光超，黄群刚，储昭兴，梁停停，王俊杰，朱启华，徐云根

《中国药物化学杂志》

DOI

2020

BET溴结构域抑制剂的研究进展

曹冉，李煜，朱启华，徐云根

《中国药物化学杂志》

DOI

2020

依伐卡托中间体的合成工艺改进

梁停停，王均伟，朱启华，徐云根

《化学试剂》

2020

Mitochondrial copper depletion suppresses triple-negative breast cancer in mice

Liyang Cui, Arvin M. Gouw, Edward L. LaGory, Shenghao Guo, Nabeel Attarwala, Yao Tang, Ji Qi, Yun‐Sheng Chen, Zhou Gao, Kerriann M. Casey, Arkadiy A. Bazhin, Min Chen, Leeann Hu, Jinghang Xie, Mingxi Fang, Cissy Zhang, Qihua Zhu, Zhiyuan Wang, Amato J. Giaccia, Sanjiv Sam Gambhir, Weiping P. Zhu, Dean W. Felsher, Mark Daniel Pegram, Elena A. Goun, Anne Le, Jianghong Rao

Nature Biotechnology

DOI

2020

A Fluorogenic Trehalose Probe for Tracking Phagocytosed Mycobacterium tuberculosis

Tingting Dai, Jinghang Xie, Qihua Zhu, Mireille Kamariza, Ke Jiang, Carolyn Ruth Bertozzi, Jianghong Rao

Journal of the American Chemical Society

DOI

2020

A practical synthesis of amino limonin/deoxylimonin derivatives as effective mitigators against inflammation and nociception

Shaochi Wang, Xueqing Han, Yun Yang, Rui Chen, Zhaoyi Guo, Qihua Zhu, Yungen Xu

RSC Medicinal Chemistry

DOI

2019

盐酸绿卡色林的工艺研究?

何光超，王均伟，管哲，朱启华，徐云根

《中国现代应用药学》

DOI

2019

PARP-1抑制剂与其他药物联用克服耐药性的研究进展

施锦渝，柏英，彭珂文，张文慧，朱启华，徐云根

《中国药科大学学报》

2019

PI3K&mTOR双重抑制剂Apitolisib的合成工艺改进

吴正阳，金佳明，沈慧，蒋腾，朱启华，徐云根

《广州化工》

2019

双靶点抗组胺化合物的设计、合成及活性研究

吴清晨，许勤龙，莫佳佳，赵炎，朱启华，何广卫，储昭兴，李家明

《化学试剂》

DOI

2019

Transition Metal‐Free C5 Tosyloxylation of 8‐Aminoquinolines with Phenyliodine Bistrifluoroacetate and Substituted 1,2‐Disulfonyl Hydrazides

Tingting Liang, Xin He, Dezhong Ji, Huanhuan Wu, Yizhu Xu, Yizhu Xu, Yuyan Li, Zhibin Wang, Yungen Xu, Yungen Xu, Qihua Zhu

European Journal of Organic Chemistry

DOI

2018

阿片受体激动剂研究进展

朱良瀚，崔芷莹，朱启华，徐云根

《药学进展》

2018

Recent Advances in Inhibitors of Sirtuin1/2: An Update and Perspective

Ziyan Zhou, Tianfang Ma, Qihua Zhu, Yungen Xu, Xiaoming Zha

Future Medicinal Chemistry

DOI

2017

利奥西呱合成路线图解

周海平，张云然，朱启华

《中国医药工业杂志》

2017

PI3K抑制剂与其他药物联用克服耐药性的研究进展

贾成舒，王均伟，李慧，朱启华，葛亦然，徐云根

《中国药科大学学报》

2017

Identification of novel allosteric inhibitors of mutant isocitrate dehydrogenase 1 by cross docking-based virtual screening

Fangxia Zou, Stefan Pusch, Jie Hua, Tianfang Ma, Lijun Yang, Qihua Zhu, Yungen Xu, Yueqing Gu, Andreas von Deimling, Xiaoming Zha

Bioorganic & Medicinal Chemistry Letters

DOI

2017

Copper( i ) and N-fluorobenzenesulfonimide-mediated direct regioselective halogenation of 8-amidoquinolines on the C5 position

Xin He, Yizhu Xu, Yizhu Xu, Lingxuan Kong, Huanhuan Wu, Dezhong Ji, Zhi-bin Wang, Yungen Xu, Yungen Xu, Qihua Zhu

Organic Chemistry Frontiers

DOI

2016

奥拉帕尼合成路线图解

张广霞，朱启华，徐云根

《中国医药工业杂志》

2016

ChemInform Abstract: Palladium‐Catalyzed Synthesis of Novel O‐Heterocycles by Domino Suzuki Coupling‐Michael Addition Reaction

Qihua Zhu, Feng Nie, Jingjie Feng, Yuyan Li, Xuyan Wang, Yungen Xu

ChemInform

DOI

2016

Identification of a novel selective inhibitor of mutant isocitrate dehydrogenase 1 at allosteric site by docking-based virtual screening

Fangxia Zou, Stefan Pusch, Jessica Eisel, Tianfang Ma, Qihua Zhu, Dawei Deng, Yueqing Gu, Yungen Xu, Andreas von Deimling, Xiaoming Zha

RSC Advances

DOI

2015

柠檬苦素类似物的生物活性和构效关系研究进展

韩学青，朱启华，王少驰，徐云根

《药学进展》

2015

Palladium‐catalyzed Synthesis of Novel O‐Heterocycles by Domino Suzuki Coupling‐Michael Addition Reaction

Qihua Zhu, Feng Nie, Jingjie Feng, Yuyan Li, Xuyan Wang, Yungen Xu

Journal of Heterocyclic Chemistry

DOI

2015

Novel Synthesis of Antiobesity Drug Lorcaserin Hydrochloride

Qihua Zhu, Junwei Wang, Xueguo Bian, Lingzhi Zhang, Ping Wei, Yungen Xu

Organic Process Research & Development

DOI

2015

Design, Synthesis, and Biological Evaluation of Dabigatran Etexilate Mimics, a Novel Class of Thrombin Inhibitors

Shaochi Wang, Peng Dai, Yungen Xu, Qiufang Chen, Qihua Zhu, Guoqing Gong

Archiv der Pharmazie

DOI

2015

ChemInform Abstract: Synthesis of 6‐Substituted Phenanthridine Derivatives by Palladium‐Catalyzed Domino Suzuki—Miyaura/Aza‐Michael Reactions.

Xiaobo Bao, Wei Yao, Qihua Zhu, Yungen Xu

ChemInform

DOI

2015

ChemInform Abstract: p‐Toluenesulfonohydrazide as Highly Efficient Initiator for Direct C—H Arylation of Unactivated Arenes.

Qiao Song, Dongmei Zhang, Qihua Zhu, Yungen Xu

ChemInform

DOI

2012

ChemInform Abstract: Palladium‐Catalyzed Tandem Reactions of β‐(2‐Bromophenyl)‐α,β‐Unsaturated Carbonyl Compounds with 2‐Hydroxyphenylboronic Acid: A New Route to Benzo[c]chromenes.

Qihua Zhu, Xuyan Wang, Yungen Xu

ChemInform

DOI

2007

Rapid One-Pot Preparation of 2-Substituted Benzimidazoles from Esters Using Microwave Conditions.

Xiao-Bi Jing, Qihua Zhu, Feng Xu, Xin-Feng Ren, Dong Li, Chaoguo Yan

DOI

2006

New Method for the Synthesis of 1,3,5‐Triarylbenzenes.

Xiao-Bi Jing, Feng Xu, Qihua Zhu, Xin-Feng Ren, Dong Li, Chaoguo Yan, Yao-Cheng Shi

DOI

2006

Novel Method for the Synthesis of 1,3,5‐Triarylbenzenes from Ketones.

Xiao-Bi Jing, Feng Xu, Qihua Zhu, Xin-Feng Ren, Chaoguo Yan, Li Wang, Jinrong Wang

DOI

精选作品

期刊论文

ChalcoVina: Enhancing Molecular Docking Accuracy by Incorporating Chalcogen Bond-Aware Scoring

Discovery of Highly Potent Phthalazinone Derivatives as PARP14 Inhibitors: From Structure-Based Virtual Screening to In Vivo Pharmacodynamic Activity

Discovery of Novel and Potent Dual PARP1/ERK Inhibitors as a Promising Strategy for Cancer Therapy

Discovery of Novel Orally Bioavailable Polθ Inhibitors with Arylalkyne Scaffolds for Targeting HR-Deficient Cancers

Discovery of Oxime Ether Derivatives as Second-Generation PRMT5 Inhibitors for the Treatment of Triple Negative Breast Cancer

第二代蛋白精氨酸甲基转移酶5抑制剂的研究进展

基于QbD理念的药物合成工艺课程教学方法探讨

异吲哚啉酮类ERK抑制剂的设计、合成及初步生物活性研究

Discovery of PKMYT1 Inhibitors with a Novel Scaffold for the Treatment of Triple-Negative Breast Cancer

Novel 3-n-butylphthalide derivatives as potent multi-functional anti-IS agents with BBB protective function

Characterization of Protein–Ligand Chalcogen Bonds: Insights from Database Survey and Quantum Mechanics Calculations

Discovery of Orally Potent Small-Molecule CD73 Inhibitor for Cancer Immunotherapy

Discovery and Optimization of Potent and Highly Selective PARP14 Inhibitors for the Treatment of Atopic Dermatitis

Discovery and Optimization of Novel Apo-IDO1 Inhibitors by a Pharmacophore-Based Structural Simplification Strategy

人工智能技术在先导化合物发现与优化中的应用进展

Rational Design of PARP1/c-Met Dual Inhibitors for Overcoming PARP1 Inhibitor Resistance Induced by c-Met Overexpression

Design, Synthesis, and Biological Evaluation of Pierardine Derivatives as Novel Brain-Penetrant and In Vivo Potent NMDAR-GluN2B Antagonists for Ischemic Stroke Treatment

PARP-1/PI3K双靶点抑制剂的设计、合成与生物活性

新型1,2,3-三氮唑类衍生物的合成及抗炎活性研究

Design, Synthesis, and Biological Evaluation of Potent and Selective Inhibitors of Ataxia Telangiectasia Mutated and Rad3-Related (ATR) Kinase for the Efficient Treatment of Cancer

Design, Synthesis and Biological Evaluation of Novel and Potent Protein Arginine Methyltransferases 5 Inhibitors for Cancer Therapy

Discovery of novel brain-penetrant GluN2B NMDAR antagonists via pharmacophore-merging strategy as anti-stroke therapeutic agents

Direct Phase‐Transition Catalysed Monohalogenation of 8‐Amidoquinolines at C5 Position in Water

1-（取代）苯磺酰基-3-烷胺基甲基吲哚衍生物的设计合成及其抑酸活性研究

BET溴结构域抑制剂的研究进展

依伐卡托中间体的合成工艺改进

Mitochondrial copper depletion suppresses triple-negative breast cancer in mice

A Fluorogenic Trehalose Probe for Tracking Phagocytosed Mycobacterium tuberculosis

A practical synthesis of amino limonin/deoxylimonin derivatives as effective mitigators against inflammation and nociception

盐酸绿卡色林的工艺研究?

PARP-1抑制剂与其他药物联用克服耐药性的研究进展

PI3K&mTOR双重抑制剂Apitolisib的合成工艺改进

双靶点抗组胺化合物的设计、合成及活性研究

Transition Metal‐Free C5 Tosyloxylation of 8‐Aminoquinolines with Phenyliodine Bistrifluoroacetate and Substituted 1,2‐Disulfonyl Hydrazides

阿片受体激动剂研究进展

Recent Advances in Inhibitors of Sirtuin1/2: An Update and Perspective

利奥西呱合成路线图解

PI3K抑制剂与其他药物联用克服耐药性的研究进展

Identification of novel allosteric inhibitors of mutant isocitrate dehydrogenase 1 by cross docking-based virtual screening

Copper( i ) and N-fluorobenzenesulfonimide-mediated direct regioselective halogenation of 8-amidoquinolines on the C5 position

奥拉帕尼合成路线图解

ChemInform Abstract: Palladium‐Catalyzed Synthesis of Novel O‐Heterocycles by Domino Suzuki Coupling‐Michael Addition Reaction

Identification of a novel selective inhibitor of mutant isocitrate dehydrogenase 1 at allosteric site by docking-based virtual screening

柠檬苦素类似物的生物活性和构效关系研究进展

Palladium‐catalyzed Synthesis of Novel O‐Heterocycles by Domino Suzuki Coupling‐Michael Addition Reaction

Novel Synthesis of Antiobesity Drug Lorcaserin Hydrochloride

Design, Synthesis, and Biological Evaluation of Dabigatran Etexilate Mimics, a Novel Class of Thrombin Inhibitors

ChemInform Abstract: Synthesis of 6‐Substituted Phenanthridine Derivatives by Palladium‐Catalyzed Domino Suzuki—Miyaura/Aza‐Michael Reactions.

ChemInform Abstract: p‐Toluenesulfonohydrazide as Highly Efficient Initiator for Direct C—H Arylation of Unactivated Arenes.

ChemInform Abstract: Palladium‐Catalyzed Tandem Reactions of β‐(2‐Bromophenyl)‐α,β‐Unsaturated Carbonyl Compounds with 2‐Hydroxyphenylboronic Acid: A New Route to Benzo[c]chromenes.

Rapid One-Pot Preparation of 2-Substituted Benzimidazoles from Esters Using Microwave Conditions.

New Method for the Synthesis of 1,3,5‐Triarylbenzenes.

Novel Method for the Synthesis of 1,3,5‐Triarylbenzenes from Ketones.

会议论文

Design,synthesis and biological evaluation of limonin derivatives

Design,synthesis and biological evaluation of novel μ-opioid receptor agonists

PARP-1抑制剂的设计,合成及生物活性研究

预印本

Discovery of Novel Egfr-Protacs Overcoming Various Types of Acquired Drugs Resistant