Mechanistic understanding from molecular dynamics in pharmaceutical research 2: lipid membrane in drug design
We review the use of molecular dynamics (MD) simulation as a drug design tool in the
context of the role that the lipid membrane can play in drug action, ie, the interaction …
context of the role that the lipid membrane can play in drug action, ie, the interaction …
Cell membranes… and how long drugs may exert beneficial pharmacological activity in vivo
G Vauquelin - British journal of clinical pharmacology, 2016 - Wiley Online Library
The time course of the beneficial pharmacological effect of a drug has long been considered
to depend merely on the temporal fluctuation of its free concentration. Only in the last …
to depend merely on the temporal fluctuation of its free concentration. Only in the last …
Effects of target binding kinetics on in vivo drug efficacy: koff, kon and rebinding
G Vauquelin - British journal of pharmacology, 2016 - Wiley Online Library
Abstract Background and Purpose Optimal drug therapy often requires continuing high
levels of target occupancy. Besides the traditional pharmacokinetic contribution, target …
levels of target occupancy. Besides the traditional pharmacokinetic contribution, target …
Insights into molecular mechanism of action of citrus flavonoids hesperidin and naringin on lipid bilayers using spectroscopic, calorimetric, microscopic and theoretical …
C Altunayar-Unsalan, O Unsalan… - Journal of Molecular …, 2022 - Elsevier
Hesperidin and naringin are predominant flavonoids in citrus fruits and exert various
biological activities. However, mechanism of these activities has not been completely …
biological activities. However, mechanism of these activities has not been completely …
Comparison of the GPVI inhibitors losartan and honokiol
Losartan and honokiol are small molecules which have been described to inhibit
aggregation of platelets by collagen. Losartan has been proposed to block clustering of …
aggregation of platelets by collagen. Losartan has been proposed to block clustering of …
Rational drug design and synthesis of molecules targeting the angiotensin II type 1 and type 2 receptors
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 …
array of biological processes that regulate human health. Aberrant function of these …
Ruscogenin interacts with DPPC and DPPG model membranes and increases the membrane fluidity: FTIR and DSC studies
I Sahin, Ç Ceylan, O Bayraktar - Archives of Biochemistry and Biophysics, 2023 - Elsevier
Ruscogenin, a kind of steroid saponin, has been shown to have significant anti-oxidant, anti-
inflammatory, and anti-thrombotic characteristics. Furthermore, it has the potential to be …
inflammatory, and anti-thrombotic characteristics. Furthermore, it has the potential to be …
On the 'micro'-pharmacodynamic and pharmacokinetic mechanisms that contribute to long-lasting drug action
G Vauquelin - Expert Opinion on Drug Discovery, 2015 - Taylor & Francis
Introduction: Optimal drug therapy often requires continuing high levels of target occupancy.
Besides the traditional pharmacokinetic (PK) contribution thereto, drug–target interactions …
Besides the traditional pharmacokinetic (PK) contribution thereto, drug–target interactions …
[HTML][HTML] Insights into the molecular basis of action of the AT1 antagonist losartan using a combined NMR spectroscopy and computational approach
The drug: membrane interactions for the antihypertensive AT1 antagonist losartan, the
prototype of the sartans class, are studied herein using an integrated approach. The …
prototype of the sartans class, are studied herein using an integrated approach. The …
Host–Guest Interactions between Candesartan and Its Prodrug Candesartan Cilexetil in Complex with 2-Hydroxypropyl-β-cyclodextrin: On the Biological Potency for …
D Ntountaniotis, I Andreadelis, TF Kellici… - Molecular …, 2019 - ACS Publications
Renin–angiotensin aldosterone system inhibitors are for a long time extensively used for the
treatment of cardiovascular and renal diseases. AT1 receptor blockers (ARBs or sartans) act …
treatment of cardiovascular and renal diseases. AT1 receptor blockers (ARBs or sartans) act …