title: Molecular electrostatic potentials in the design of dendrimers for the delivery of glitazones.
abstract: Glitazones are PPARgamma agonistic insulin sensitizers used clinically for the treatment of type-2 diabetes. The delivery of these compounds with the help of dendrimers is possible. Ab initio MO calculations and MESP analysis indicate that the dendrimers with complementary electrostatic potential to glitazones can be designed. The estimated binding strength between one arm of dendrimer and thiazolidinedione is about 15-20 kcal/mol. This binding strength originates from three hydrogen bonds between the dendrimer and each molecule of glitazone. This binding strength is quite suitable for drug encapsulation on the dendrimer based nanoparticles and can be employed for drug delivery.
authors.affiliation: Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research Sector-67, S. A. S. Nagar 160062, Punjab, India.
authors.forename: Prasad V
authors.initials: PV
authors.lastname: Bharatam
authors.forename: Sandeep
authors.initials: S
authors.lastname: Sundriyal
mesh_terms: D003198:Computer Simulation; D050091:Dendrimers / Q000737:chemistry*; D004337:Drug Carriers / Q000737:chemistry*; D015195:Drug Design; D004574:Electromagnetic Fields; D007004:Hypoglycemic Agents / Q000008:administration & dosage / Q000737:chemistry; D008956:Models, Chemical; D008958:Models, Molecular; D049329:Nanostructures / Q000737:chemistry / Q000648:ultrastructure; D010316:Particle Size; D055672:Static Electricity; D045162:Thiazolidinediones / Q000008:administration & dosage* / Q000737:chemistry*
chemical_list: D050091:Dendrimers; D004337:Drug Carriers; D007004:Hypoglycemic Agents; D045162:Thiazolidinediones