机构

• 上海药物研究所 [5]
• 西北高原生物研究所 [2]
• 大连化学物理研究所 [2]
• 昆明植物研究所 [1]

采集方式

• OAI收割 [9]
• iSwitch采集 [1]

内容类型

• 期刊论文 [10]

发表日期

• 2025 [1]
• 2023 [2]
• 2022 [1]
• 2020 [1]
• 2019 [2]
• 2018 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共10条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Computational and in vitro evaluation of sumac-derived ?Rutan compounds towards Sars-CoV-2 Mpro inhibition 期刊论文  OAI收割 FRONTIERS IN PHARMACOLOGY, 2025, 卷号: 16, 页码: 16 作者:  Kayumov, Muzaffar;  Marimuthu, Parthiban;  Razzokov, Jamoliddin;  Mukhamedov, Nurkhodja;  Asrorov, Akmal   |  收藏  |  浏览/下载：5/0  |  提交时间：2025/04/01 Rutan  SARS-CoV-2 M-pro  docking  MD simulations  in vitro analysis   The anticancer potential of chemical constituents of Moringa oleifera targeting CDK-2 inhibition in estrogen receptor positive breast cancer using in-silico and in vitro approches 期刊论文  OAI收割 BMC COMPLEMENTARY MEDICINE AND THERAPIES, 2023, 卷号: 23, 期号: 1, 页码: 17 作者:  Sultan, Rida;  Ahmed, Abrar;  Wei, Li;  Saeed, Hamid;  Islam, Muhammad   |  收藏  |  浏览/下载：17/0  |  提交时间：2023/12/19 CDK2  ER+ Breast cancer  Molecular Docking  MM-GBSA  Molecular Dynamic Simulations  MTT assay  Moringa oleifera  Phytoconstituents  Chlorogenic acid   MEDIATE-Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions 期刊论文  OAI收割 EXPERT OPINION ON DRUG DISCOVERY, 2023, 页码: 13 作者:  Vistoli, Giulio;  Manelfi, Candida;  Talarico, Carmine;  Fava, Anna;  Warshel, Arieh   |  收藏  |  浏览/下载：13/0  |  提交时间：2023/10/17 Collaborative computing  virtual screening  docking simulations  drug repurposing  SARS-CoV-2  artificial intelligence   Identification of PRMT5 inhibitors with novel scaffold structures through virtual screening and biological evaluations 期刊论文  OAI收割 JOURNAL OF MOLECULAR MODELING, 2022, 卷号: 28, 期号: 7, 页码: 184 作者:  Zhang, Qian;  Zhang, Lun;  Jin, Jia;  Fan, Yaohua;  Wang, Xiaoguang   |  收藏  |  浏览/下载：23/0  |  提交时间：2024/03/21 PRMT5  Small-molecule inhibitors  Virtual screening  Molecular docking  Molecular dynamics simulations   Synthesis, antifungal activity and potential mechanism of fusidic acid derivatives possessing amino-terminal groups 期刊论文  OAI收割 FUTURE MEDICINAL CHEMISTRY, 2020, 卷号: 12, 期号: 9, 页码: 763-774 作者:  Cao, Yucheng;  Ni, Jingxuan;  Ji, Wentao;  Shang, Kangle;  Liang, Kaicheng   |  收藏  |  浏览/下载：47/0  |  提交时间：2020/12/24 antifungal activity  fusidic acid  homology modeling  molecular docking  molecular dynamics simulations   Cytochrome P450 3A Enzymes Are Key Contributors for Hepatic Metabolism of Bufotalin, a Natural Constitute in Chinese Medicine Chansu 期刊论文  OAI收割 FRONTIERS IN PHARMACOLOGY, 2019, 卷号: 10, 页码: 10 作者:  Ma, Hong-Ping;  Dai, Zi-Ru;  Ning, Jing;  Sun, Gui-Bo;  Wang, Ping   |  收藏  |  浏览/下载：75/0  |  提交时间：2019/06/20 bufotalin  cytochrome P450 3A (CYP3A)  hydroxylation  human liver microsomes (HLMs)  docking simulations   Cytochrome p450 3a enzymes are key contributors for hepatic metabolism of bufotalin, a natural constitute in chinese medicine chansu 期刊论文  iSwitch采集 Frontiers in pharmacology, 2019, 卷号: 10, 页码: 10 作者:  Dai, Zi-Ru;  Ning, Jing;  Sun, Gui-Bo;  Wang, Ping;  Zhang, Feng 收藏  |  浏览/下载：103/0  |  提交时间：2019/05/08 Bufotalin  Cytochrome p450 3a (cyp3a)  Hydroxylation  Human liver microsomes (hlms)  Docking simulations   Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1 期刊论文  OAI收割 COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2018, 卷号: 76, 页码: 53-60 作者:  Li, Yaping;  Peng, Jiale;  Zhou, Yeheng;  Li, Penghua;  Li, Yingying   |  收藏  |  浏览/下载：38/0  |  提交时间：2018/11/12 Checkpoint kinase 1 inhibitor  Virtual screening  Pharmacophore modeling  Molecular docking  Molecular dynamics simulations   Theoretical studies on the interactions of XIAP-BIR3 domain with bicyclic and tricyclic core monovalent Smac mimetics 期刊论文  OAI收割 journal of molecular graphics & modelling, 2010, 卷号: 29, 期号: 3, 页码: 354-362 作者:  Ling, Baoping;  Dong, Lihua;  Zhang, Rui;  Wang, Zhiguo;  Liu, Yongjun 收藏  |  浏览/下载：38/0  |  提交时间：2011/12/13 Smac mimetics  Caspase-9  XIAP-BIR3  Molecular docking  Molecular dynamics simulations  Binding free energy   STUDY ON THE INTERACTIONS OF Smac MIMETICS WITH XIAP-BIR3 DOMAIN BY DOCKING AND MOLECULAR DYNAMICS SIMULATIONS 期刊论文  OAI收割 JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2010, 卷号: 9, 期号: 4, 页码: 797-812 作者:  Ling, Baoping;  Zhang, Rui;  Wang, Zhiguo;  Liu, Yongjun;  Liu, Chengbu   |  收藏  |  浏览/下载：13/0  |  提交时间：2011/12/13 Inhibitor Of Apoptosis Protein (Iap)  Smac Mimetics  Molecular Docking  Molecular Dynamics Simulations  Binding Free Energy