Results 21 to 30 of about 30,899 (248)
Molecular Docking Studies and ADME Predictions on Synthesized Chalcone Compounds Targeting EGFR
Hittite Journal of Science and Engineering, 2023 In the present study, new chalcone derivatives (5a–5f) obtained from the condensation reaction of cuminaldehyde and acetophenone compounds containing different substituents were reported.
Özlem Gündoğdu
doaj +1 more source
Flavones scaffold of Chromolaena odorata as a potential xanthine oxidase inhibitor: Induced Fit Docking and ADME studies [PDF]
BioImpacts, 2020 Introduction: Gout is a type of painful inflammation initiated by the interactions between monosodium urate crystals and connective tissue. Xanthine oxidase (XO) catalyzes the oxidation of hypoxanthine to xanthine, then to uric acid.
Babatomiwa Kikiowo +8 more
doaj +1 more source
Can small drugs predict the intrinsic aqueous solubility of ‘beyond Rule of 5’ big drugs?
ADMET and DMPK, 2020 The aim of the study was to explore to what extent small molecules (mostly from the Rule of 5 chemical space) can be used to predict the intrinsic aqueous solubility, S0, of big molecules from beyond the Rule of 5 (bRo5) space.
Alex Avdeef, Manfred Kansy
doaj +1 more source
Eclética Química, 2022 The 1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole (2HMN) is a powerful antibacterial and antiparasitic drug used alongside other drugs against Helicobacter pylori infection and was investigated the effects of substituents: –OH (A), H (B), –SPh (C), –COOH (
Moriam Dasola Adeoye +5 more
doaj +1 more source
Solubility Temperature Dependence Predicted from 2D Structure
ADMET and DMPK, 2015 The objective of the study was to find a computational procedure to normalize solubility data determined at various temperatures (e.g., 10 – 50 oC) to values at a “reference” temperature (e.g., 25 °C). A simple procedure was devised to predict enthalpies
Alex Avdeef
doaj +1 more source
ADME properties of the molecules (7a-k).
, 2022 ADME properties of the molecules (7a-k).
Muhammad Naveed Anjum (4853752) +8 more
core +1 more source
Anomalous Solubility Behavior of Several Acidic Drugs
ADMET and DMPK, 2014 The “anomalous solubility behavior at higher pH values” of several acidic drugs originally studied by Higuchi et al. in 1953 [1], but hitherto not fully rationalized, has been re-analyzed using a novel solubility-pH analysis computer program, pDISOL-XTM.
Alex Avdeef
doaj +1 more source
ADME properties of the phytoconstituents of interest.
, 2023 ADME properties of the phytoconstituents of interest.
Sabiha Tasnim (16978638) +17 more
core +1 more source
ADMET and DMPK, 2014 The purpose of the study was to assess the stoichiometries of phosphate precipitates and determine the intrinsic solubilities, S0, of 25 basic drugs from their published solubility-pH profiles in the landmark study of Bergström et al.
Alex Avdeef
doaj +1 more source
Palladacarboxamide Capping Reagents for Carbon Isotope Labeling and Pharmaceutical Diversification
Angewandte Chemie, EarlyView.Herein, we present a method for carbon isotope labeling of arylamides via the coupling of air‐stable palladium carboxamide complexes and boronic ester/acids. A wide variety of functionalized boronic esters and acids have been coupled with simple palladium carboxamides complexes.
Daniel V. Hoffmann +8 more
wiley +2 more sources