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Wiley电子期刊(2)
SpringerLink电子期刊(61)
Elsevier电子期刊(146)
ACS电子期刊(43)
在“
Elsevier电子期刊
”中,
命中:
146
条,耗时:0.0299888 秒
在所有数据库中总计命中:
252
条
1.
Novel butyrylcholinesterase inhibitors through
pharmacophore
modeling
, virtual screening and DFT-
based
approaches along-with design of bioisosterism-
based
analogues
作者:
Dhrubajyoti Gogoi
a
;
Amrita Kashyap Chaliha
b
;
Diganta Sarma
c
;
Bibhuti Bhusan Kakoti
a
;
Alak Kumar Buragohain
b
;
alakkrburagohain@gmail.com
;
alak@dibru.ac.in
关键词:
Butyrylcholinesterase (BChE)
;
Pharmacophore
modeling
;
Molecular docking
;
ADMET
;
DFT
刊名:Biomedicine & Pharmacotherapy
出版年:2017
2.
Pharmacophore
modeling
and conformational analysis in the gas phase and in aqueous solution of regioisomeric melatonin analogs. A theoretical and experimental study
作者:
Humberto Mendoza-Figueroa
a
;
b
;
Gelacio Martí
;
nez-Gudiñ
;
o
a
;
b
;
Jorge E. Villanueva-Luna
a
;
b
;
Joel J. Trujillo-Serrato
a
;
Martha S. Morales-Rí
;
os
a
;
b
;
smorales@cinvestav.mx
关键词:
2-(N-acylaminoalkyl)indoles
;
Synthesis
;
Virtual screening
;
Pharmacophore
modeling
;
Gas-phase
;
Continuum solvent
刊名:Journal of Molecular Structure
出版年:2017
3.
Homology
modeling
and virtual screening for inhibitors of lipid kinase PI(4)K from Plasmodium
作者:
Ji-Xia Ren
a
;
b
;
Na-Na Gao
c
;
Xue-Song Cao
a
;
Quan-An Hu
a
;
Yong Xie
b
;
yxie@implad.ac.cn" class="auth_mail" title="E-mail the corresponding author
关键词:
Lipid kinase PI(4)K
;
Homology
modeling
;
Pharmacophore
modeling
;
Virtual screening
刊名:Biomedicine & Pharmacotherapy
出版年:2016
4.
Virtual screening
based
on
pharmacophore
model followed by docking simulation studies in search of potential inhibitors for p38 map kinase
作者:
Mohsen Shahlaei
a
;
mohsenshahlaei@yahoo.com" class="auth_mail" title="E-mail the corresponding author
;
mshahlaei@kums.ac.ir" class="auth_mail" title="E-mail the corresponding author
;
Elham Doosti
b
关键词:
P38 map kinase inhibitors
;
Ligand
-
based
pharmacophore
modeling
;
Computer aided drug design
;
Docking
;
Virtual screening
刊名:Biomedicine & Pharmacotherapy
出版年:2016
5.
Novel drug design for Chagas disease via targeting Trypanosoma cruzi tubulin: Homology
modeling
and binding pocket prediction on Trypanosoma cruzi tubulin polymerization inhibition by naphthoquinone derivatives
作者:
Charles O. Ogindo
a
;
Mozna H. Khraiwesh
b
;
Matthew George Jr.
c
;
Yakini Brandy
a
;
Nailah Brandy
a
;
Ayele Gugssa
b
;
Mohammad Ashraf
d
;
Muneer Abbas
e
;
f
;
William M. Southerland
c
;
Clarence M. Lee
b
;
Oladapo Bakare
a
;
Yayin Fang
c
;
关键词:
Chagas disease
;
Trypanosoma cruzi
;
Naphthoquinone derivatives
;
Tubulin polymerization inhibition
;
Homology
modeling
;
Binding site prediction
;
Structure
based
drug design (SBDD)
刊名:Bioorganic & Medicinal Chemistry
出版年:2016
6.
A mechanistic approach to explore novel HDAC1 inhibitor using
pharmacophore
modeling
, 3D- QSAR analysis, molecular docking, density functional and molecular dynamics simulation study
作者:
Sanjay K. Choubey
;
Jeyakanthan Jeyaraman
;
jjkanthan@gmail.com
关键词:
Molecular docking
;
Pharmacophore
;
3D-QSAR
;
Molecular dynamics
;
Binding free energy
;
Density functional theory
刊名:Journal of Molecular Graphics and Modelling
出版年:2016
7.
Ligand
-
based
modeling
of diverse aryalkylamines yields new potent P-glycoprotein inhibitors
作者:
Dana A. AlQudah
a
;
Malek A. Zihlif
a
;
Mutasem O. Taha
b
;
mutasem@ju.edu.jo" class="auth_mail" title="E-mail the corresponding author
关键词:
P-glycoprotein
;
Doxorubicin-resistant cells
;
Pharmacophore
;
QSAR
;
Virtual screening
刊名:European Journal of Medicinal Chemistry
出版年:2016
8.
Synthesis, in vitro antitumor activity and molecular
modeling
studies of a new series of benzothiazole Schiff bases
作者:
Moustafa T. Gabr
a
;
b
;
Nadia S. El-Gohary
a
;
dr.nadiaelgohary@yahoo.com" class="auth_mail" title="E-mail the corresponding author
;
Eman R. El-Bendary
a
;
Mohamed M. El-Kerdawy
a
;
Nanting Ni
b
关键词:
Benzothiazole
;
Schiff bases
;
Antitumor activity
;
Molecular
modeling
;
In silico studies
刊名:Chinese Chemical Letters
出版年:2016
9.
Discovery of new selective cytotoxic agents against Bcl-2 expressing cancer cells using
ligand
-
based
modeling
作者:
Nour H. Aboalhaija
a
;
Malek A. Zihlif
c
;
Mutasem O. Taha
b
;
mutasem@ju.edu.jo" class="auth_mail" title="E-mail the corresponding author
关键词:
Bcl-2
;
Pharmacophore
;
QSAR
;
MLR
;
kNN
;
Virtual screening
;
Anticancer screening
刊名:Chemico-Biological Interactions
出版年:2016
10.
Investigation on the isoform selectivity of novel kinesin-like protein 1 (KIF11) inhibitor using chemical feature
based
pharmacophore
, molecular docking, and quantum mechanical studies
作者:
Subramanian Karunagaran
a
;
Subramaniyan Subhashchandrabose
b
;
Keun Woo Lee
c
;
Chandrasekaran Meganathan
a
;
megac2005@gmail.com" class="auth_mail" title="E-mail the corresponding author
关键词:
Kinesin like protein-1
;
Pharmacophore
modeling
;
Molecular docking
;
Density functional theory
刊名:Computational Biology and Chemistry
出版年:2016
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