Results 21 to 30 of about 50,348 (248)

Human metabolism and elimination of the anthocyanin, cyanidin-3-glucoside: a 13C-tracer study [PDF]

, 2013
BACKGROUND: Evidence suggests that the consumption of anthocyanin-rich foods beneficially affects cardiovascular health; however, the absorption, distribution, metabolism, and elimination (ADME) of anthocyanin-rich foods are relatively unknown. OBJECTIVE:
Aedín Cassidy, Cassidy, Charles Czank, Colin D Kay, Das, Das, de Pascual-Teresa, Del Bò, Del Rio, Douglas J Morrison, Felgines, Felgines, Felgines, Garcia-Alonso, González-Barrio, Haycock, Hooper, Ichiyanagi, Kay, Kay, Kay, Manach, Mazza, McCullough, Milbury, Mink, Miyazawa, Morrison, Morrison, Morrison, Mullen, Neveu, Nigel P Botting, Nurmi, Paul A Kroon, Qingzhi Zhang, Shreeve, Slater, Tom Preston, Tsuda, Ueno, Vitaglione, Wallace, Walle, Williamson, Williamson, Woodward, Wu, Zhang, Zhang, Zhang   +50 more
core   +1 more source

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

ADMET and DMPK, 2020
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 chemical space of drugs.
Alex Avdeef
doaj   +1 more source

QSAR studies on Withanolide analogs for anticancer activity [PDF]

, 2011
Withanolides are a group of pharmacologically active compounds present in most prodigal amounts in roots and leaves of Withania somnifera (Indian ginseng), one of the most important medicinal plants of Indian systems of medicine.
Dharmendra Kumar Yadav, Feroz Khan, Rajender S. Sangwan   +2 more
core   +2 more sources

Do you know your r2?

ADMET and DMPK, 2020
The prediction of solubility of drugs usually calls on the use of several open-source/commercially-available computer programs in the various calculation steps.
Alex Avdeef
doaj   +1 more source

Multi-lab intrinsic solubility measurement reproducibility in CheqSol and shake-flask methods

ADMET and DMPK, 2019
This commentary compares 233 CheqSol intrinsic solubility values (log S0) reported in the Wiki-pS0 database for 145 different druglike molecules to the 838 log S0 values determined mostly by the saturation shake-flask (SSF) method for 124 of the ...
Alex Avdeef
doaj   +1 more source

Synthesis, Antiproliferative Activity and In Silico Studies of Chalcones Derived From 4-(Imidazole-1-yl)Acetophenone

Journal of the Turkish Chemical Society, Section A: Chemistry, 2023
In this study, the synthesis of chalcone compounds (1-11) derived from 4-(imidazol-1-yl)acetophenone and the structure determination of these compounds by various spectroscopic methods were carried out.
Bedriye Seda KURŞUN AKTAR, Abdulraheem Mustafa ALKARABASH , Ayşe ŞAHİN YAĞLIOĞLU, Emine Elçin ORUÇ-EMRE   +3 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

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

Overcoming the challenges of cancer drug resistance through bacterial-mediated therapy. [PDF]

, 2019
Despite tremendous efforts to fight cancer, it remains a major public health problem and a leading cause of death worldwide. With increased knowledge of cancer pathways and improved technological platforms, precision therapeutics that specifically target
Bivona, Trever G, Chang, Samantha, Hernández, Amanda C, Keasling, Jay D, Kothari, Ankita, Mao, Jian-Hua, Snijders, Antoine M, Wang, Jessica, Zargar, Amin   +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