title: A prospective overview of the essential requirements in molecular modeling for nanomedicine design.
abstract: Nanotechnology has presented many new challenges and opportunities in the area of nanomedicine design. The issues related to nanoconjugation, nanosystem-mediated targeted drug delivery, transitional stability of nanovehicles, the integrity of drug transport, drug-delivery mechanisms and chemical structural design require a pre-estimated and determined course of assumptive actions with property and characteristic estimations for optimal nanomedicine design. Molecular modeling in nanomedicine encompasses these pre-estimations and predictions of pertinent design data via interactive computographic software. Recently, an increasing amount of research has been reported where specialized software is being developed and employed in an attempt to bridge the gap between drug discovery, materials science and biology. This review provides an assimilative and concise incursion into the current and future strategies of molecular-modeling applications in nanomedicine design and aims to describe the utilization of molecular models and theoretical-chemistry computographic techniques for expansive nanomedicine design and development.
authors.affiliation: University of the Witwatersrand, Faculty of Health Sciences, Department of Pharmacy & Pharmacology, Johannesburg, South Africa.
authors.forename: Pradeep
authors.initials: P
authors.lastname: Kumar
authors.forename: Riaz A
authors.initials: RA
authors.lastname: Khan
authors.forename: Yahya E
authors.initials: YE
authors.lastname: Choonara
authors.forename: Viness
authors.initials: V
authors.lastname: Pillay
mesh_terms: D004337:Drug Carriers / Q000737:chemistry; D015195:Drug Design; D008958:Models, Molecular; D050997:Nanomedicine; D053758:Nanoparticles / Q000737:chemistry; D036103:Nanotechnology; D012984:Software
chemical_list: D004337:Drug Carriers