Molecular docking based virtual screening of natural compounds as potential BACE1 inhibitors: 3D QSAR pharmacophore mapping and molecular dynamics analysis
A Kumar, S Roy, S Tripathi… - Journal of Biomolecular …, 2016 - Taylor & Francis
Beta-site APP cleaving enzyme1 (BACE1) catalyzes the rate determining step in the
generation of Aβ peptide and is widely considered as a potential therapeutic drug target for …
generation of Aβ peptide and is widely considered as a potential therapeutic drug target for …
Exploration of the structural requirements of HIV-protease inhibitors using pharmacophore, virtual screening and molecular docking approaches for lead identification
Pharmacoinformatics approaches are widely used in the field of drug discovery as it saves
time, investment and animal sacrifice. In the present study, pharmacore-based virtual …
time, investment and animal sacrifice. In the present study, pharmacore-based virtual …
[PDF][PDF] Squaryl Molecular Metaphors Application to Rational Drug Design and Imaging Agents
SL Kitson - Journal of Diagnostic Imaging in Therapy, 2017 - pdfs.semanticscholar.org
Molecular Metaphors is the application of squaryl building blocks towards creative functional
group chemistry to produce lead compounds and imaging agents. This strategy is applied to …
group chemistry to produce lead compounds and imaging agents. This strategy is applied to …
Accurate prediction of inhibitor binding to HIV-1 protease using CANDOCK
The human immunodeficiency virus 1 (HIV-1) protease is an important target for treating HIV
infection. Our goal was to benchmark a novel molecular docking protocol and determine its …
infection. Our goal was to benchmark a novel molecular docking protocol and determine its …
Expedient screening for HIV-1 protease inhibitors using a simplified immunochromatographic assay
K Kitidee, W Khamaikawin, W Thongkum… - … of Chromatography B, 2016 - Elsevier
ABSTRACT A colloidal gold-based immunochromatographic (IC) strip test was developed
and validated for the detection of HIV-1 protease (HIV-PR) activity and inhibitory effect of HIV …
and validated for the detection of HIV-1 protease (HIV-PR) activity and inhibitory effect of HIV …
Discovery of Novel Multi-target Inhibitor of angiotensin type 1 receptor and neprilysin inhibitors from Traditional Chinese Medicine
X Huo, L Qiao, Y Chen, X Chen, Y He, Y Zhang - Scientific Reports, 2019 - nature.com
Angiotensin II type-1 receptor–neprilysin inhibitor (ARNi) is consisted of Angiotensin II type-1
receptor (AT1) antagonist and neprilysin (NEP) inhibitor, which could simultaneously …
receptor (AT1) antagonist and neprilysin (NEP) inhibitor, which could simultaneously …
Pharmacophore-driven identification of N-methyl-D-receptor antagonists as potent neuroprotective agents validated using in vivo studies
M Sharma, A Mittal, A Singh… - Biology Methods and …, 2020 - academic.oup.com
Abstract Alzheimer's disease (AD), apparently the most widespread reason behind
dementia, is delineated by a continuous cognitive weakening in the aged. During its …
dementia, is delineated by a continuous cognitive weakening in the aged. During its …
Pharmacophore and molecular docking based identification of novel structurally diverse PDE-5 inhibitors
S Paliwal, A Mittal, M Sharma, A Pandey… - Medicinal Chemistry …, 2015 - Springer
In view that PDE5 is a potential target for the design of antihypertensive drugs a
pharmacophore and molecular docking based virtual screening protocol was implemented …
pharmacophore and molecular docking based virtual screening protocol was implemented …
An overview of antiretroviral agents for treating HIV infection in paediatric population
Paediatric Acquired ImmunoDeficiency Syndrome (AIDS) is a life-threatening and infectious
disease in which the Human Immunodeficiency Virus (HIV) is mainly transmitted through …
disease in which the Human Immunodeficiency Virus (HIV) is mainly transmitted through …
Chemical Feature‐Based Molecular Modeling of Urotensin‐II Receptor Antagonists: Generation of Predictive Pharmacophore Model for Early Drug Discovery
A Pandey, SK Paliwal, SK Paliwal - Journal of Chemistry, 2014 - Wiley Online Library
For a series of 35 piperazino‐phthalimide and piperazino‐isoindolinone based urotensin‐II
receptor (UT) antagonists, a thoroughly validated 3D pharmacophore model has been …
receptor (UT) antagonists, a thoroughly validated 3D pharmacophore model has been …