Ionization, lipophilicity, and molecular modeling to investigate permeability and other biological properties of
Giulia Caron1, Giuseppe Ermondi, Alessandro Damiano
1Dipartimento di Scienza e Tecnologia del Farmaco, Università di Torino, Via P. Giuria 9, I-10125 Torino, Italy. giulia.caron@unito.it
Abstract:
This paper uses a recent approach toward drug discovery, in which in silico tools and experimental data are combined together to study the structural features of amlodipine and their relevance in the peculiar pharmacodynamic and pharmacokinetic profiles of this long acting calcium antagonist. Results reveal for amlodipine two families of conformers (folded and extended) but also demonstrate that protonation is the predominant factor governing amlodipine intermolecular interactions among which ionic forces play a major role.
More Related Videos
Related Concept Videos
Bioavailability Enhancement: Drug Permeability Enhancement
Factors Affecting Dissolution: Drug pKa, Lipophilicity and GI pH
A drug's pKa and the pH of the gastrointestinal (GI) tract play crucial roles in drug...
Factors Affecting Dissolution: Drug Permeability, Stability and Stereochemistry
Pore Transport and Ion-Pair Transport
Pore transport, also known as convective transport, is a process where small molecules like urea, water, and sugars rapidly cross cell membranes as though there were channels or pores in the membrane. Although direct microscopic evidence is limited but the concept of pores or channels is widely accepted based on physiological evidence. Despite the lack of direct microscopic...
Drug Absorption Mechanism: Passive Membrane Transport
Factors Influencing Drug Absorption: Drug Dissolution


