Interaction of Cisplatin Anticancer Drug With C20bowl: Dft Investigation

Interaction of Cisplatin Anticancer Drug With C20bowl: Dft Investigation Publisher

Ghiasi R¹ ; Valizadeh A²

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1. Department of Chemistry, East Tehran Branch, Islamic Azad University, Tehran, Iran
2. Department of Medical Nanotechnology, School of Advanced Technologies in Medicine, Tehran University of Medical Sciences, Iran

Source: Main Group Chemistry Published:2022

Abstract

This study investigated the cisplatin (anticancer drug) interaction with C20 bowl and C20H10(Bowl) molecule including hydrogen-saturated with using mPW1PW91 functional. The stability of the various isomers of drug interaction with C20 bowl was investigated. The interaction energy values were estimated in these systems. Changes in the structural parameters and the frontier orbital energy and HOMO-LUMO gap values were evaluated. Charge transfer between fragments were shown with electrophilicity-based charge transfer (ECT). The Octanol-water partition coefficient (log P) and molecular volume (Vm) of these drug precursor molecules were studied. Also, Pt-C bond characterizations were illustrated using QTAIM analysis. The results showed that C20 bowl can be a promising nanocarrier for cisplatin anticancer drug. © 2022 - IOS Press. All rights reserved.

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Style	Citing Format
MLA	Ghiasi R, Valizadeh A. "Interaction of Cisplatin Anticancer Drug With C20bowl: Dft Investigation." Main Group Chemistry, vol. 21, no. 1, 2022, pp. 43-54.
APA	Ghiasi R, Valizadeh A (2022). Interaction of Cisplatin Anticancer Drug With C20bowl: Dft Investigation. Main Group Chemistry, 21(1), 43-54.
Chicago	Ghiasi R, Valizadeh A. "Interaction of Cisplatin Anticancer Drug With C20bowl: Dft Investigation." Main Group Chemistry 21, no. 1 (2022): 43-54.
Harvard	Ghiasi R, Valizadeh A (2022) 'Interaction of Cisplatin Anticancer Drug With C20bowl: Dft Investigation', Main Group Chemistry, 21(1), pp. 43-54.
Vancouver	Ghiasi R, Valizadeh A. Interaction of Cisplatin Anticancer Drug With C20bowl: Dft Investigation. Main Group Chemistry. 2022;21(1):43-54.
BibTex	@article{ author = {Ghiasi R and Valizadeh A}, title = {Interaction of Cisplatin Anticancer Drug With C20bowl: Dft Investigation}, journal = {Main Group Chemistry}, volume = {21}, number = {1}, pages = {43-54}, year = {2022} }
RIS	TY - JOUR AU - Ghiasi R AU - Valizadeh A TI - Interaction of Cisplatin Anticancer Drug With C20bowl: Dft Investigation JO - Main Group Chemistry VL - 21 IS - 1 SP - 43 EP - 54 PY - 2022 ER -

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