Prediction of aqueous intrinsic solubility of druglike molecules using Random Forest regression trained with Wiki-pS0 database

A Avdeef - ADMET and DMPK, 2020 - hrcak.srce.hr
Sažetak The accurate prediction of solubility of drugs is still problematic. It was thought for a
long time that shortfalls had been due the lack of high-quality solubility data from the …

Determining partition coefficient (Log P), distribution coefficient (Log D) and ionization constant (pKa) in early drug discovery

SS Bharate, V Kumar… - … Chemistry & High …, 2016 - ingentaconnect.com
An early prediction of physicochemical properties is highly desirable during drug discovery
to find out a viable lead candidate. Although there are several methods available to …

Quinine-based semisynthetic ion transporters with potential antiproliferative activities

N Akhtar, N Pradhan, GK Barik… - … applied materials & …, 2020 - ACS Publications
Synthetic ion transporters have attracted tremendous attention for their therapeutic potential
against various ion-transport-related diseases, including cancer. Inspired by the structure …

Physiologically‐based pharmacokinetic modeling for optimal dosage prediction of quinine coadministered with ritonavir‐boosted lopinavir

T Saeheng, K Na‐Bangchang… - Clinical …, 2020 - Wiley Online Library
The coformulated lopinavir/ritonavir significantly reduces quinine concentration in healthy
volunteers due to potential drug–drug interactions (DDIs). However, DDI information in …

The impact of the EMA change in definition of “dose” on the BCS dose–solubility ratio: a review of the biowaiver monographs

A Sediq, M Kubbinga, P Langguth… - Journal of Pharmaceutical …, 2014 - Elsevier
Abstract The Biopharmaceutics Classification System (BCS) defines the solubility
characteristics of an active pharmaceutical substance based on its dose–solubility ratio: for …

Aptamer-ligand recognition studied by native ion mobility-mass spectrometry

E Daems, D Dewaele, K Barylyuk, K De Wael, F Sobott - Talanta, 2021 - Elsevier
The range of applications for aptamers, small oligonucleotide-based receptors binding to
their targets with high specificity and affinity, has been steadily expanding. Our …

Membrane integrity monitoring on laboratory scale: Impact of test cell-induced damage on membrane selectivity

DV Gowda, D Harmsen, A D'Haese… - Journal of Membrane …, 2023 - Elsevier
Defects in the active layer of reverse osmosis (RO) membranes play a crucial role in the
passage of virus particles and microbial surrogates through the membrane systems. Prior …

Novel electrophoretic acetonitrile-based stacking for sensitive monitoring of the antiepileptic drug perampanel in human serum

P Tůma, M Bursová, B Sommerová, R Horsley… - … of Pharmaceutical and …, 2018 - Elsevier
Perampanel is a novel antiepileptic drug used in paediatric patients. Existing methods that
determine serum perampanel are of limited practicability. We developed a novel capillary …

Physicochemical quality assessment of antimalarial medicines: chloroquine phosphate and quinine sulfate tablets from drug retail outlets of South-West Ethiopia

H Abuye, W Abraham, S Kebede… - Infection and drug …, 2020 - Taylor & Francis
Background Malaria is a complex disease and main community health problem in Africa and
the top leading cause of outpatient visits, admissions, and deaths in Ethiopia. Its effective …

Interactions of the cocaine and quinine aptamer with gold nanoparticles under the dilute biosensor and concentrated NMR conditions

F Zhang, J Liu - Langmuir, 2021 - ACS Publications
The cocaine aptamer was later found to bind quinine with an even higher affinity. In this
work, we used a fluorescently labeled aptamer named MN4 to study its adsorption by gold …