Discovery of novel myc-max heterodimer disruptors with a three-dimensional
pharmacophore model.
Kumar, Design and Development of Sustained Release Injectable in Situ Gel of Cytarabine,
Pharmacophore, 4, 252 (2013).
Pharmacophore, an International Research Journal, 2: 244-253.
The most striking progress in medicinal chemistry have taken place in the last two decades, where the heterocyclic compounds have been recognized as important
pharmacophore eliciting numerous biological activities [1].
Pharmacophore modeling is a process where a molecule is modeled in three dimensions.
Toward a better
pharmacophore description of P-glycoprotein modulators, based on macrocydic diterpenes from Euphorbia species.
In medicinal chemistry, the thiazolidinones are a practical framework which can be leaned as a
pharmacophore in a large diversity of biologically active compounds.
The importance of DHPM (dihydropyrimidine) ring as
pharmacophore is well known by the pharmacological properties of their derivatives, like calcium channel antagonists, a-adrenergic neuropeptide g antagonists, antihypertensive, antitumor, antibacterial and anti-inflammatory agents (Ronyar and Kinball, 1995, Grover and Dzwonczyk, 1995 and Kappe, 1993).
Se of molecules are selected and then used to form a
pharmacophore, have a structural similarity wit target molecule.
The Pharm-IF is calculated from the distances of pairs of ligand
pharmacophore features that interact with protein atoms and it can detect important geometrical patterns of ligand
pharmacophore.
They address the core methodology used in computational drug discovery and selected applications, including the physical basis of ligand binding, the force field representation of biomolecular systems, and the concepts of chemical library representation and design, fragment libraries, drug-likeness, and filtering, as well as major in silico methods, such as ligand-based chemical library screening,
pharmacophore modeling and screening, and ligand-protein docking.
The lecture was on the use of
pharmacophore models in drug design research, in which advanced computing is used to search for chemical structures and predict a chosen biological activity.
