Results 11 to 20 of about 130,911 (332)
Lipophilicity in drug design: an overview of lipophilicity descriptors in 3D-QSAR studies [PDF]
Future Medicinal Chemistry, 2020 The pharmacophore concept is a fundamental cornerstone in drug discovery, playing a critical role in determining the success of in silico techniques, such as virtual screening and 3D-QSAR studies.
Gibert, Enric +4 more
core +5 more sources
Chemosensors, 2022 Lipophilicity is one of many parameters involved in the biological activity of drugs, as it affects their pharmacokinetic and pharmacodynamic behavior.
José X. Soares +3 more
doaj +2 more sources
A systematic investigation of lipophilicity modulation by aliphatic fluorination motifs
Journal of Medicinal Chemistry, 2020 Optimization of compound lipophilicity is a key aspect of drug discovery. The aim of this work was to compare the lipophilicity modulations induced by 16 distinct known and novel fluoroalkyl motifs on three parent models.
Felstead, Hannah, Rebecca +12 more
core +2 more sources
Assessment of Lipophilicity Parameters of Antimicrobial and Immunosuppressive Compounds
Molecules, 2023 Lipophilicity in addition to the solubility, acid-base character and stability is one of the most important physicochemical parameters of a compound required to assess the ADMET properties (absorption, distribution, metabolism, excretion and toxicity) of
Dawid Wardecki +2 more
core +2 more sources
Inorganics, 2018 Lipophilicity is a crucial parameter for drug discovery, usually determined by the logarithmic partition coefficient (Log P) between octanol and water.
Matthias H. M. Klose +7 more
doaj +2 more sources
Lipophilicity of the nitrophenols
The Journal of Organic Chemistry, 2000 The lipophilicity of the nitrophenols, expressed as a water−solvent partition coefficient, P, has been investigated using the solvation equation, log P = c + eE + sS + aA + bB + vV. It is shown that this equation accounts quantitatively for lipophilicity
Du, Chau My +2 more
core +3 more sources
Lipophilicity in molecular modeling
Pharmaceutical Research, 1996 PURPOSE: The molecular lipophilicity potential (MLP) offers a three-dimensional representation of lipophilicity, a molecular property encoding intermolecular recognition and intramolecular interactions. METHOD: The interest and applications of the MLP in
Testa, Bernard +4 more
core +4 more sources
Study of Lipophilicity and ADME Properties of 1,9-Diazaphenothiazines with Anticancer Action
International Journal of Molecular Sciences, 2023 Lipophilicity is one of the key properties of a potential drug that determines the solubility, the ability to penetrate through cell barriers, and transport to the molecular target.
Beata Morak-Młodawska +3 more
semanticscholar +1 more source
Effect of lipophilicity on drug distribution and elimination: Influence of obesity
British Journal of Clinical Pharmacology, 2021 For a given passively‐distributed lipophilic drug, the extent of in vivo distribution (pharmacokinetic volume of distribution, Vd) in obese individuals increases in relation to the degree of obesity. The present study had the objective of evaluating drug
Christopher Donald Bruno +5 more
semanticscholar +1 more source