Discovery of potential pancreatic cholesterol esterase inhibitors using pharmacophore modelling, virtual screening, and optimization studies

S John, S Thangapandian, S Sakkiah… - Journal of enzyme …, 2011 - Taylor & Francis
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 …

Potential human cholesterol esterase inhibitor design: benefits from the molecular dynamics simulations and pharmacophore modeling studies

S John, S Thangapandian, KW Lee - Journal of Biomolecular …, 2012 - Taylor & Francis
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 …

[HTML][HTML] 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 …

Pharmacophore-based screening for identification of human acyl-CoA cholesterol acyltransferase inhibitors: An in-silico study

A Dhaundiyal, P Kumari, S Kalra - Letters in Drug Design & …, 2021 - ingentaconnect.com
Aims: A pharmacophore based in silico study for screening out Human Acyl-CoA cholesterol
acyltransferase (ACAT) inhibitors. Background: Human Acyl-CoA cholesterol acyltransferase …

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 …

Discovery of Novel Acyl Coenzyme A: Cholesterol Acyltransferase Inhibitors: Pharmacophore‐Based Virtual Screening, Synthesis and Pharmacology

MT Chhabria, PS Brahmkshatriya… - Chemical biology & …, 2012 - Wiley Online Library
The present study describes ligand‐based pharmacophore modeling of a series of
structurally diverse acyl coenzyme A cholesterol acyltransferase inhibitors. Quantitative …

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 …

New cholesterol esterase inhibitors based on rhodanine and thiazolidinedione scaffolds

S Heng, W Tieu, S Hautmann, K Kuan… - Bioorganic & medicinal …, 2011 - Elsevier
We present a new class of inhibitors of pancreatic cholesterol esterase (CEase) based on
'priviledged'5-benzylidenerhodanine and 5-benzylidene-2, 4-thiazolidinedione structural …

Benzoflavones as cholesterol esterase inhibitors: Synthesis, biological evaluation and docking studies

H Singh, JV Singh, MK Gupta, P Singh… - Bioorganic & Medicinal …, 2017 - Elsevier
Abstract A library of forty 7, 8-benzoflavone derivatives was synthesized and evaluated for
their inhibitory potential against cholesterol esterase (CEase). Among all the synthesized …

Rational approaches, design strategies, structure activity relationship and mechanistic insights for esterase inhibitors

H Singh, JV Singh, N Kaur, M Sanduja… - Mini Reviews in …, 2018 - ingentaconnect.com
Background: Esterase is an enzyme that splits esters into an acid and alcohol. Varieties of
esterases are present in human body to control diverse set of cellular processes and …