[HTML][HTML] Computational approaches in target identification and drug discovery

T Katsila, GA Spyroulias, GP Patrinos… - Computational and …, 2016 - Elsevier
In the big data era, voluminous datasets are routinely acquired, stored and analyzed with the
aim to inform biomedical discoveries and validate hypotheses. No doubt, data volume and …

Rational drug design and synthesis of molecules targeting the angiotensin II type 1 and type 2 receptors

TF Kellici, AG Tzakos, T Mavromoustakos - Molecules, 2015 - mdpi.com
The angiotensin II (Ang II) type 1 and type 2 receptors (AT1R and AT2R) orchestrate an
array of biological processes that regulate human health. Aberrant function of these …

A chitosan-graft-PEI-candesartan conjugate for targeted co-delivery of drug and gene in anti-angiogenesis cancer therapy

X Bao, W Wang, C Wang, Y Wang, J Zhou, Y Ding… - Biomaterials, 2014 - Elsevier
A multifunctional copolymer–anticancer conjugate chitosan-graft-polyethyleneimine-
candesartan (CPC) containing low molecular weight chitosan (CS) backbone and …

Alamandine reverses hyperhomocysteinemia‐induced vascular dysfunction via PKA‐dependent mechanisms

T Qaradakhi, MT Matsoukas, A Hayes… - Cardiovascular …, 2017 - Wiley Online Library
Introduction Hyperhomocysteinemia (HH cy) impairs nitric oxide endothelium‐dependent
vasodilation, consequently leading to atherosclerosis, a risk factor for cardiovascular …

[HTML][HTML] Nano-hydroxyapatite-derived drug and gene co-delivery system for anti-angiogenesis therapy of breast cancer

L Zhao, W Zhao, Y Liu, X Chen… - Medical science monitor …, 2017 - ncbi.nlm.nih.gov
Background Breast cancer is among the deadliest cancers across the world and is
responsible for countless deaths. There is an urgent need for co-delivery systems which can …

Structure-based rational design of adenosine receptor ligands

H Gutiérrez-de-Terán, J Sallander… - Current Topics in …, 2017 - ingentaconnect.com
The family of adenosine receptors (ARs) is focus of several medicinal chemistry programs
aimed to find new potent and selective drugs. Each receptor subtype has been proposed as …

[HTML][HTML] Insights into the molecular basis of action of the AT1 antagonist losartan using a combined NMR spectroscopy and computational approach

M Zervou, Z Cournia, C Potamitis, G Patargias… - … et Biophysica Acta (BBA …, 2014 - Elsevier
The drug: membrane interactions for the antihypertensive AT1 antagonist losartan, the
prototype of the sartans class, are studied herein using an integrated approach. The …

Computational studies of smell and taste receptors

A Di Pizio, MY Niv - Israel Journal of Chemistry, 2014 - Wiley Online Library
Smell and taste are among the basic senses with which we perceive the world around us. In
addition to enabling recognition of chemical moieties that provide social or nutritional clues …

[HTML][HTML] The dynamic properties of angiotensin II type 1 receptor inverse agonists in solution and in the receptor site

TF Kellici, D Ntountaniotis, G Liapakis… - Arabian Journal of …, 2019 - Elsevier
In this article, the conformational properties of olmesartan and its methylated analogue were
charted using a combination of NMR spectroscopy and molecular modeling. For the …

Combating diseases with computational strategies used for drug design and discovery

FR Makhouri, JB Ghasemi - Current Topics in Medicinal …, 2018 - ingentaconnect.com
Computer-aided drug discovery (CADD) tools have provided an effective way in the drug
discovery pipeline for expediting of this long process and economizing the cost of research …