Results 1 to 10 of about 26,351 (208)

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   +3 more sources

ADME results

, 2023
ADME results FOR ( Design, Molecular Docking, Synthesis and Preliminary Evaluation of Hybrid Molecules of Benzothiazole Linked with Hydroxamate by Disulfide Bond and Certain Linkers as HDACs Inhibitors)
Shakir Mahmood Alwan Mayssam Hazem Abdulameer
openalex   +2 more sources

Benzo[<i>d</i>]imidazole anchored oxadiazole derivatives: synthesis, characterization, biological evaluation, <i>in silico</i> docking and ADME-T analysis. [PDF]

RSC Adv
Salluri YR, Chepuri K, Anwar S.
europepmc   +3 more sources

In memoriam - Konstantin Tsinman (1968 - 2020)

ADMET and DMPK, 2022
In memory of Konstantin Tsinman - Chief Scientific Officer at Pion Inc.,
Alex Avdeef
doaj   +1 more source

Docking Simulations and Virtual Screening to find Novel Ligands for T3S in Yersinia pseudotuberculosis YPIII, A drug target for type III secretion (T3S) in the Gram-negative pathogen Yersinia pseudotuberculosis [PDF]

Chemical Review and Letters, 2021
In the Gram-negative pathogen Yersinia pseudotuberculosis and Chlamydia, the aggregate use of molecular docking, molecular dynamic simulations, and ADMET was successfully used to develop salicylidene acyl hydrazides as type III secretion (T3S) inhibitors.
Emmanuel Edache, Uzairu Adamu, Paul Mamza, Shallangwa Gideon   +3 more
doaj   +1 more source

Thickness of the aqueous boundary layer in stirred microtitre plate permeability assays (PAMPA and Caco-2), based on the Levich equation

ADMET and DMPK, 2022
The stirring frequency exponent of -1/2 in the theoretical Levich expression appears to apply to PAMPA and Caco-2 assays, where efficient individual-well magnetic stirring ( > 20 RPM) is used.
Alex Avdeef
doaj   +1 more source

Anomalous salting-out, self-association and pKa effects in the practically-insoluble bromothymol blue

ADMET and DMPK, 2023
Background and Purpose: The widely-used and practically insoluble diprotic acidic dye, bromothymol blue (BTB), is a neutral molecule in strongly acidic aqueous solutions.
Alex Avdeef
doaj   +1 more source

ADM worldvolume geometry [PDF]

Nuclear Physics B - Proceedings Supplements, 2000
4 pages, Latex. Uses espcrc2.sty To appear in the proceedings of the Third Conference on Constrained Dynamics and Quantum Gravity, September, 1999. To appear in Nuclear Physics B (Proceedings Supplement)
Capovilla, Riccardo, Guven, Jemal, Rojas, Efraín   +2 more
openaire   +3 more sources

ADME-AP: a database of ADME associated proteins [PDF]

Bioinformatics, 2002
Abstract Summary: Drug absorption, distribution, metabolism and excretion (ADME) often involve interaction of a drug with specific proteins. Knowledge about these ADME-associated proteins is important in facilitating the study of the molecular mechanism of disposition and individual response as well as therapeutic action of drugs.
Sun, L.Z., Ji, Z.L., Chen, X., Wang, J.F., Chen, Y.Z.   +4 more
openaire   +2 more sources

An integrated assessment of the ADME properties of the CDK4/6 Inhibitor ribociclib utilizing preclinical in vitro, in vivo, and human ADME data

Pharmacology Research & Perspectives, 2020
Ribociclib (LEE011, Kisqali ®) is a highly selective small molecule inhibitor of cyclin‐dependent kinases 4 and 6 (CDK4/6), which has been approved for the treatment of advanced or metastatic breast cancer.
Alexander D. James, Hilmar Schiller, Cyrille Marvalin, Yi Jin, Hubert Borell, Ad F. Roffel, Ulrike Glaenzel, Yan Ji, Gian Camenisch   +8 more
doaj   +1 more source