• P-ISSN 0974-6846 E-ISSN 0974-5645

Indian Journal of Science and Technology


Indian Journal of Science and Technology

Year: 2016, Volume: 9, Issue: 48, Pages: 1-4

Original Article

Supramolecular Deoxyribose Nucleic Acid and Functionalized Carbon Nanotube Conjugate: Computational Modeling Approach


Objectives: To develop a robust, feasible and stable conjugate of functionalized Carbon Nanotube (f-CNT) and Supramolecular Nucleic Acid (DNA) which are compatible with each other in behavior. Method: A basic computational model of above mentioned conjugate is prepared with the help of Hyperchem® 7.5 obtained by steepest descent algorithm. Findings: This f-CNT-DNA conjugate model was then used to study various QSAR properties of CNT-DNA like molar refractivity, polarization, volume, Hydration Energy, Surface Area and Log P values to show its viability and potential in various biotechnical applications. Applications: Various conjugate models are studied and detected its feasibility and stability to work as a carrier for various biotechnical applications, ranging from biological transporters as a drug carrier and biosensors.
Keywords: Computational modeling, Deoxyribose Nucleic Acid (DNA), f-CNT-DNA Conjugate, Functionalized Carbon Nanotubes (f-CNT), Hyperchem


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