Concepts of artificial intelligence for computer-assisted drug discovery
X Yang, Y Wang, R Byrne, G Schneider… - Chemical …, 2019 - ACS Publications
Artificial intelligence (AI), and, in particular, deep learning as a subcategory of AI, provides
opportunities for the discovery and development of innovative drugs. Various machine …
opportunities for the discovery and development of innovative drugs. Various machine …
Human tissue angiotensin converting enzyme (ace) activity is regulated by genetic polymorphisms, posttranslational modifications, endogenous inhibitors and …
Objective: Inhibitors of the angiotensin converting enzyme (ACE) are the primarily chosen
drugs to treat heart failure and hypertension. Moreover, an imbalance in tissue ACE/ACE2 …
drugs to treat heart failure and hypertension. Moreover, an imbalance in tissue ACE/ACE2 …
The effect of N-methylation of amino acids (Ac-X-OMe) on solubility and conformation: a DFT study
SMA Rauf, PI Arvidsson, F Albericio… - Organic & …, 2015 - pubs.rsc.org
N-Methylation has a significant impact on improving the oral bioavailability, lipophilicity and
aqueous solubility of peptide-based lead drug structures. The selected mono-amino acid …
aqueous solubility of peptide-based lead drug structures. The selected mono-amino acid …
Characterisation of selected active agents regarding pKa values, solubility concentrations and pH profiles by SiriusT3
D Schönherr, U Wollatz, D Haznar-Garbacz… - European Journal of …, 2015 - Elsevier
The aim of this work was to determine pK a values and solubility properties of 34 active
agents using the SiriusT3 apparatus. The selected drug substances belong to the groups of …
agents using the SiriusT3 apparatus. The selected drug substances belong to the groups of …
[HTML][HTML] Nigella sativa protects against isoproterenol-induced myocardial infarction by alleviating oxidative stress, biochemical alterations and histological damage
Objective To evaluate the cardioprotective effect of Nigella sativa L.(N. sativa) in
isoproterenol-induced myocardial infarction (MI). Methods Groups were treated with different …
isoproterenol-induced myocardial infarction (MI). Methods Groups were treated with different …
Evaluation of SimpleTreat 4.0: Simulations of pharmaceutical removal in wastewater treatment plant facilities
In this study, the removal of pharmaceuticals from wastewater as predicted by SimpleTreat
4.0 was evaluated. Field data obtained from literature of 43 pharmaceuticals, measured in …
4.0 was evaluated. Field data obtained from literature of 43 pharmaceuticals, measured in …
Poly (amidoamine) dendrimer-mediated hybrid formulation for combination therapy of ramipril and hydrochlorothiazide
We present a dendrimer-based hybrid formulation strategy to explore the potential of poly
(amidoamine) PAMAM dendrimers to be used as drug carriers for combination therapy of an …
(amidoamine) PAMAM dendrimers to be used as drug carriers for combination therapy of an …
Spirornatas AC from brown alga Turbinaria ornata: Anti-hypertensive spiroketals attenuate angiotensin-I converting enzyme
K Chakraborty, S Dhara - Phytochemistry, 2022 - Elsevier
Bioactive compounds with angiotensin-I converting enzyme attenuation potential are
deemed as therapeutic agents for hypertension owing to their capacity to suppress the …
deemed as therapeutic agents for hypertension owing to their capacity to suppress the …
Transdermal delivery of angiotensin converting enzyme inhibitors
F Helal, ME Lane - European Journal of Pharmaceutics and …, 2014 - Elsevier
Abstract The Angiotensin Converting Enzyme (ACE) inhibitor class of drugs has been in
clinical use since the 1970s for the management of all grades of heart failure, hypertension …
clinical use since the 1970s for the management of all grades of heart failure, hypertension …
Physicochemical investigation of encapsulation of antihypertensive drug captopril in mixed micellar system to enhance its delivery
This research work provides insight into the solubilization of a non-ionic drug captopril
(CAP) in the micellar media of cationic surfactant cetyltrimethylammonium bromide (CTAB) …
(CAP) in the micellar media of cationic surfactant cetyltrimethylammonium bromide (CTAB) …