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Cytotoxic Trichothecene Macrolides Produced by the Endophytic Myrothecium roridum
期刊论文
JOURNAL OF NATURAL PRODUCTS, 2019, 卷号: 82, 期号: 6, 页码: 1503-1509
作者:
Shen, Li
;
Ai, Chun-Zhi
;
Song, Yong-Chun
;
Wang, Feng-Wu
;
Jiao, Rui-Hua
收藏
  |  
浏览/下载:60/0
  |  
提交时间:2019/12/02
Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 79, 页码: 165-176
作者:
Li, Yingying
;
Peng, Jiale
;
Li, Penghua
;
Du, Haibo
;
Li, Yaping
收藏
  |  
浏览/下载:64/0
  |  
提交时间:2019/07/29
Pharmacophore modeling
Molecular docking
Quantitative structure activity relationship (QSAR)
Molecular dynamics
AMPK
Activator
Pharmacophore-based drug design for the identification of novel butyrylcholinesterase inhibitors against Alzheimer's disease
期刊论文
PHYTOMEDICINE, 2019, 卷号: 54, 期号: 2, 页码: 278-290
作者:
Jiang, YY (Jiang, Yingying)[ 2 ]
;
Gao, HW (Gao, Hongwei)[ 1,2 ]
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  |  
浏览/下载:46/0
  |  
提交时间:2019/03/19
Alzheimer's disease (AD)
Butyrylcholinesterase (BChE)
Flavonoids
Pharmacophore models
Molecular docking
De novo evolution
Design, synthesis and biological evaluation of amide-pyridine derivatives as novel dual-target antifungal inhibitors.
期刊论文
Bioorganic & medicinal chemistry, 2019
作者:
Bin Sun
;
Yue Dong
;
Kang Lei
;
Jian Wang
;
Liyu Zhao
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/17
3D
QSAR
model
Amide-pyridine
compounds
Antifungal
activity
Dual-target
Molecular
docking
Design, synthesis and biological evaluation of amide-pyridine derivatives as novel dual-target antifungal inhibitors
期刊论文
Bioorganic & Medicinal Chemistry, 2019
作者:
Bin Sun
;
Yue Dong
;
Kang Lei
;
Jian Wang
;
Liyu Zhao
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/17
Dual-target
Amide-pyridine
compounds
Antifungal
activity
Molecular
docking
3D
QSAR
model
Pharmacophore-based drug design for potential AChE inhibitors from Traditional Chinese Medicine Database
期刊论文
BIOORGANIC CHEMISTRY, 2018, 卷号: 76, 期号: 2, 页码: 400-414
作者:
Jiang, YY (Jiang, Yingying)
;
Gao, HW (Gao, Hongwei)
;
Gao, HW
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2018/03/14
Ad
Ache
Flavonoids
Tcm
Pharmacophore Models
Docking
Predicting tyrosinase inhibition by 3D QSAR pharmacophore models and designing potential tyrosinase inhibitors from Traditional Chinese medicine database
期刊论文
PHYTOMEDICINE, 2018, 卷号: 38, 期号: 1, 页码: 145-157
作者:
Gao, HW (Gao, Hongwei)
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  |  
浏览/下载:29/0
  |  
提交时间:2018/03/05
Tyrosinase
Inhibitors
Tcm
Pharmacophore Models
Docking
In silico approaches to identify novel myeloid cell leukemia-1 (Mcl-1) inhibitors for treatment of cancer
期刊论文
2018, 卷号: 36, 期号: 9, 页码: 2424-2435
作者:
Ren, Ji-Xia
;
Li, Cheng-Ping
;
Zhou, Xiu-Ling
;
Cao, Xue-Song
;
Xie, Yong
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2020/01/03
Mcl-1
pharmacophore
3D QSAR
molecular docking
virtual screening
Virtual screening of B-Raf kinase inhibitors: A combination of pharmacophore modelling, molecular docking, 3D-QSAR model and binding free energy calculation studies
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 70, 页码: 186-190
作者:
Zhang, Wen
;
Qiu, Kai-Xiong
;
Yu, Fang
;
Xie, Xiao-Guang
;
Zhang, Shu-Qun
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2017/12/11
B-raf Kinase Inhibitors
Virtual Screening
Pharmacophore
Molecular Docking
3d Qsar
Binding Free Energy Calculation
Comparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 67, 期号: 1, 页码: 38-47
作者:
Zhang, Shuqun
;
Lin, Zichun
;
Pu, Yinglan
;
Zhang, Yunqin
;
Zhang, Li
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2017/05/19
BACE1
AD
HQSAR
CoMFA
CoMSIA
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