AUT Researchers Introduce Efficient Drug Delivery Systems

Saturday, February 8, 2020 - 15:04

Researchers of Amirkabir University of Technology have succeeded to introduce efficient drug delivery systems for anti-osteoporosis zolendronate and risedronate drugs.

According to an ISCA report, Zahra Nikfar in cooperation with Prof. Zahra Shariatinia, the advisor, worked on the DFT computational study on the phosphate functionalized SWCNTs as efficient drug delivery systems for anti-osteoporosis zolendronate and risedronate drugs which its results published in Physica E Low-dimensional Systems and Nanostructures.

Based on the research, “The pristine (4,4)-armchair SWCNT as well as its three phosphate functionalized (CNT-nH2PO4, n=1–3) forms were studied as novel drug delivery systems for the two commercially famous anti-osteoporosis drugs including risedronate (RIS) and zolendronate (ZOL) using the density functional theory (DFT) computations at both B3LYP and B3PW91 levels.

“Results revealed that the binding energy was increased by increasing number of H2PO4 moieties attached on the CNT with the most negative binding energy was measured for the CNT-3H2PO4 carrier. The dipole moments of all phosphate containing CNTs were much greater (~1.5–4.5 D) than that of pristine CNT (~0 D).

“The contour maps verified that when the CNT was functionalized by H2PO4 groups, the symmetric distribution of electric charge was vanished so that the highest and the lowest asymmetric charge distributions were achieved for the CNT-2H2PO4 and CNT-3H2PO4, respectively, leading to the greatest and the smallest dipole moments for the CNT-2H2PO4 (4.177 D) and the CNT-3H2PO4 (1.614 D).

“The compounds RIS-CNT-3H2PO4 and ZOL-CNT-3H2PO4 displayed the greatest electronegativity and electrophilicity index which were appropriate for the binding of drugs onto the bone surface (having partial positive charge due to the presence of Ca²⁺) and therefore effectively inhibiting the osteoporosis.

“Consequently, it was proposed that the drug-CNT-3H2PO4 was the most appropriate drug-carrier system for both of the RIS and ZOL drugs which could be employed as the most efficient vehicle.”


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