Search Results - "Shen, Liteng"

Identification of Potential JNK3 Inhibitors: A Combined Approach Using Molecular Docking and Deep Learning-Based Virtual Screening by Yao, Chenpeng, Shen, Zheyuan, Shen, Liteng, Kadier, Kailibinuer, Zhao, Jingyi, Guo, Yu, Xu, Lei, Cao, Ji, Dong, Xiaowu, Yang, Bo

“…JNK3, a member of the MAPK family, plays a pivotal role in mediating cellular responses to stress signals, with its activation implicated in a myriad of…”
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A hybrid energy-based and AI-based screening approach for the discovery of novel inhibitors of JAK3 by Wei, Juying, Pan, Youlu, Shen, Zheyuan, Shen, Liteng, Xu, Lei, Yu, Wenjuan, Huang, Wenhai

“…The JAKs protein family is composed of four isoforms, and JAK3 has been regarded as a druggable target for the development of drugs to treat various diseases,…”
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Discovery of potential WEE1 inhibitors via hybrid virtual screening by Jin, Tingting, Xu, Wei, Chen, Roufen, Shen, Liteng, Gao, Jian, Xu, Lei, Chi, Xinglong, Lin, Nengming, Zhou, Lixin, Shen, Zheyuan, Zhang, Bo

“…G /M cell cycle checkpoint protein WEE1 kinase is a promising target for inhibiting tumor growth. Although various WEE1 inhibitors have entered clinical…”
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Rational Identification of Novel Antibody‐Drug Conjugate with High Bystander Killing Effect against Heterogeneous Tumors by Guo, Yu, Shen, Zheyuan, Zhao, Wenbin, Lu, Jialiang, Song, Yi, Shen, Liteng, Lu, Yang, Wu, Mingfei, Shi, Qiuqiu, Zhuang, Weihao, Qiu, Yueping, Sheng, Jianpeng, Zhou, Zhan, Fang, Luo, Che, Jinxin, Dong, Xiaowu

“…Bystander‐killing payloads can significantly overcome the tumor heterogeneity issue and enhance the clinical potential of antibody‐drug conjugates (ADC), but…”
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KnoMol: A Knowledge-Enhanced Graph Transformer for Molecular Property Prediction by Gao, Jian, Shen, Zheyuan, Lu, Yan, Shen, Liteng, Zhou, Binbin, Xu, Donghang, Dai, Haibin, Xu, Lei, Che, Jinxin, Dong, Xiaowu

“…Molecular property prediction (MPP) techniques are pivotal in reducing drug development costs by preemptively predicting bioactivity and ADMET properties…”
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Discovery of 2‑Aminopyrimidine Derivatives as Potent Dual FLT3/CHK1 Inhibitors with Significantly Reduced hERG Inhibitory Activities by Li, Xuemei, Wang, Peipei, Wang, Chang, Jin, Tingting, Xu, Ran, Tong, Lexian, Hu, Xiaobei, Shen, Liteng, Li, Jia, Zhou, Yubo, Liu, Tao

“…FLT3 inhibitors as single agents have limited effects because of acquired and adaptive resistance and the cardiotoxicity related to human ether-a-go-go-related…”
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ADCdb: the database of antibody-drug conjugates by Shen, Liteng, Sun, Xiuna, Chen, Zhen, Guo, Yu, Shen, Zheyuan, Song, Yi, Xin, Wenxiu, Ding, Haiying, Ma, Xinyue, Xu, Weiben, Zhou, Wanying, Che, Jinxin, Tan, Lili, Chen, Liangsheng, Chen, Siqi, Dong, Xiaowu, Fang, Luo, Zhu, Feng

“…Antibody-drug conjugates (ADCs) are a class of innovative biopharmaceutical drugs, which, via their antibody (mAb) component, deliver and release their potent…”
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Structure-based identification of new orally bioavailable BRD9-PROTACs for treating acute myelocytic leukemia by Zhang, Jingyu, Duan, Haiting, Gui, Renzhao, Wu, Mingfei, Shen, Liteng, Jin, Yuheng, Pang, Ao, Yu, Xiaoli, Zeng, Shenxin, Zhang, Bo, Lin, Nengming, Huang, Wenhai, Wang, Yuwei, Yao, Xiaojun, Li, Jia, Dong, Xiaowu, Zhou, Yubo, Che, Jinxin

“…BRD9 is essential in regulating gene transcription and chromatin remodeling, and blocking BRD9 profoundly affects the survival of AML cells. However, the…”
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Discovery of New Phenyltetrazolium Derivatives as Ferroptosis Inhibitors for Treating Ischemic Stroke: An Example Development from Free Radical Scavengers by Lu, Yang, Shen, Zexu, Xu, Yaping, Lin, Haoran, Shen, Liteng, Jin, Yizhen, Guo, Yu, Lu, Jialiang, Li, Linjie, Zhuang, Yuxin, Jin, Yuheng, Zhuang, Weihao, Huang, Wenhai, Dong, Xiaowu, Dai, Haibin, Che, Jinxin

“…Ferroptosis is a promising therapeutic target for injury-related diseases, yet diversity in ferroptosis inhibitors remains limited. In this study, initial…”
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Discovery of a Highly Potent and Selective BRD9 PROTAC Degrader Based on E3 Binder Investigation for the Treatment of Hematological Tumors by Duan, Haiting, Zhang, Jingyu, Gui, Renzhao, Lu, Yang, Pang, Ao, Chen, Beijing, Shen, Liteng, Yu, Hengyuan, Li, Jia, Xu, Tengfei, Wang, Yuwei, Yao, Xiaojun, Zhang, Bo, Lin, Nengming, Dong, Xiaowu, Zhou, Yubo, Che, Jinxin

“…BRD9 is a pivotal epigenetic factor involved in cancers and inflammatory diseases. Still, the limited selectivity and poor phenotypic activity of targeted…”
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Virtual Screening and Molecular Docking: Discovering Novel METTL3 Inhibitors by Yang, Junyi, He, Yanwen, Kang, Youkun, Shen, Liteng, Zhang, Wen, Yan, Yumeng, Li, Xinyi, Huang, Wenhai, Xu, Xiangwei

“…Methyltransferase-like 3 (METTL3) is an RNA methyltransferase that catalyzes the -methyladenosine (m6A) modification of mRNA in eukaryotic cells. Past studies…”
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Exploration of novel 20S proteasome activators featuring anthraquinone structures and their application in hypoxic cardiomyocyte protection by Yu, Qian, Gao, Lixin, Xu, Linhao, Han, Yubing, Cao, Yu, Xi, Jianjun, Zhong, Yigang, Li, Linjie, Shen, Liteng, Che, Jinxin, Dong, Xiaowu, Zhang, Chong, Zeng, Linghui, Zhu, Huajian, Shao, Jiaan, Xu, Yizhou, Li, Jia, Zhou, Yubo, Zhang, Jiankang

“…[Display omitted] •Proteasome activators show promising potential in hypoxic cardiomyocyte protection.•A batch of highly active proteasome activators were…”
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Combining AI and traditional screening for discovery of a potent ROCK2 inhibitor against lymphoma by Lu, Yan, Shen, Zheyuan, Shen, Liteng, Ying, Jiaxun, Gao, Jian, Zhao, Jingyi, Geng, Shuangshuang, Chi, Xinglong, Zhang, Tianshu, Xu, Lei, Zhang, Qingnan, Dong, Xiaowu, Xu, Donghang

“…•Identified potential ROCK2 inhibitors using AI-driven virtual screening techniques.•Compound 5 shows potent inhibition and efficacy against hematological…”
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TransFoxMol: predicting molecular property with focused attention by Gao, Jian, Shen, Zheyuan, Xie, Yufeng, Lu, Jialiang, Lu, Yang, Chen, Sikang, Bian, Qingyu, Guo, Yue, Shen, Liteng, Wu, Jian, Zhou, Binbin, Hou, Tingjun, He, Qiaojun, Che, Jinxin, Dong, Xiaowu

“…Abstract Predicting the biological properties of molecules is crucial in computer-aided drug development, yet it’s often impeded by data scarcity and imbalance…”
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Identification and assessment of new PIM2 inhibitors for treating hematologic cancers: A combined approach of energy‐based virtual screening and machine learning evaluation by Chen, Xi, Zhao, Jingyi, Chen, Roufen, Shen, Liteng, Lu, Jialiang, Guo, Yu, Chi, Xinglong, Geng, Shuangshuang, Zhang, Qingnan, Pan, Zhichao, He, Xinjun, Xu, Lei, Shen, Zheyuan, Yang, Haiyan, Lei, Tao

“…PIM2, part of the PIM kinase family along with PIM1 and PIM3, is often overexpressed in hematologic cancers, fueling tumor growth. Despite its significance,…”
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