Potential human cholesterol esterase inhibitor design: benefits from the molecular dynamics simulations and pharmacophore modeling studies
Human pancreatic cholesterol esterase (hCEase) is one of the lipases found to involve in
the digestion of large and broad spectrum of substrates including triglycerides …
the digestion of large and broad spectrum of substrates including triglycerides …
Discovery of potential pancreatic cholesterol esterase inhibitors using pharmacophore modelling, virtual screening, and optimization studies
Pancreatic cholesterol esterase (CEase) is a serine hydrolase involved in the hydrolysis of
variety of lipids and transport of free cholesterol. In this study, pharmacophore hypotheses …
variety of lipids and transport of free cholesterol. In this study, pharmacophore hypotheses …
New insights in the activation of human cholesterol esterase to design potent anti-cholesterol drugs
S John, S Thangapandian, P Lazar, M Son, C Park… - Molecular …, 2014 - Springer
Primary hypercholesterolemia is the root cause for major health issues like coronary heart
disease and atherosclerosis. Regulating plasma cholesterol level, which is the product of …
disease and atherosclerosis. Regulating plasma cholesterol level, which is the product of …
[HTML][HTML] Ligand-based pharmacophore modeling, molecular docking, and molecular dynamic studies of HMG-CoA reductase inhibitors
Cardiovascular diseases (CVDs) are the leading causes of death, morbidity, and health
expenses in developed and developing countries. Hyperlipidemia is the increase in plasma …
expenses in developed and developing countries. Hyperlipidemia is the increase in plasma …
Computer-aided molecular design of novel HMG-CoA reductase inhibitors for the treatment of hypercholesterolemia
VB Da Silva, WJ Andrioli, I Carvalho… - Journal of Theoretical …, 2007 - World Scientific
Elevated cholesterol levels are a primary risk factor for the development of coronary artery
disease. Dietary changes associated with drug therapy can reduce high serum cholesterol …
disease. Dietary changes associated with drug therapy can reduce high serum cholesterol …
Discovery of potential cholesterol esterase inhibitors using in silico docking studies
T Sivashanmugam, S Muthukrishnan… - ||| Bangladesh …, 2013 - bdpsjournal.org
New drug discovery is considered broadly in terms of two kinds of investigational activities
such as exploration and exploitation. This study deals with the evaluation of the cholesterol …
such as exploration and exploitation. This study deals with the evaluation of the cholesterol …
159 Computational approach for optimizing inhibitors of 1HWK (HMG-CoA reductase)
R Annabhimoju, U Vuruputuri - Journal of Biomolecular Structure …, 2013 - Taylor & Francis
Coronary heart disease is a leading cause of death, and represents an increasing burden
on healthcare resources worldwide. It is one of the most investigated diseases in Medicinal …
on healthcare resources worldwide. It is one of the most investigated diseases in Medicinal …
Identification and synthesis of selective cholesterol esterase inhibitor using dynamic combinatorial chemistry
S Zhao, Y Wu, L Hu - Bioorganic Chemistry, 2022 - Elsevier
In this study, the concept of dynamic combinatorial chemistry (DCC) was applied to explore
novel cholesterol esterase (CEase) inhibitors. In the presence of enzyme, two substrates …
novel cholesterol esterase (CEase) inhibitors. In the presence of enzyme, two substrates …
Molecular docking and ADMET analysis of synthetic statins for HMG-CoA reductase inhibition activity
Hypercholesterolemia is a serious condition that may lead to coronary heart disease, heart
attack and stroke raising the rate of morbidity and mortality in hypocholesterolemic patients …
attack and stroke raising the rate of morbidity and mortality in hypocholesterolemic patients …
Considerations for docking of selective angiotensin-converting enzyme inhibitors
J Caballero - Molecules, 2020 - mdpi.com
The angiotensin-converting enzyme (ACE) is a two-domain dipeptidylcarboxypeptidase,
which has a direct involvement in the control of blood pressure by performing the hydrolysis …
which has a direct involvement in the control of blood pressure by performing the hydrolysis …
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