Cyclodextrin solubilization and complexation of antiretroviral drug lopinavir: In silico prediction; Effects of derivatization, molar ratio and preparation method

被引：34

作者：

Adeoye, Oluwatomide ^{[1
]}

Conceicao, Jaime ^{[1
,2
]}

Serra, Patricia A. ^{[1
]}

da Silva, Andreia Bento ^{[3
]}

Duarte, Noelia ^{[1
]}

Guedes, Rita C. ^{[1
]}

Corvo, Marta C. ^{[4
]}

Aguiar-Ricardo, Ana ^{[5
]}

Jicsinszky, Laszlo ^{[6
]}

Casimiro, Teresa ^{[5
]}

Cabral-Marques, Helena ^{[1
]}

机构：

[1] Univ Lisbon, Fac Pharm, Res Inst Med iMed ULisboa, Lisbon, Portugal

[2] Univ Porto, Fac Pharm, Dept Drug Sci, UCIBIO REQUIMTE,MedTech Lab Pharmaceut Technol, Oporto, Portugal

[3] FFULisboa, Ave Prof Gama Pinto, P-1649003 Lisbon, Portugal

[4] UNL, CENIMAT i3N, Dept Mat Sci, Fac Sci & Technol, P-2829516 Caparica, Portugal

[5] Univ Nova Lisboa, Fac Ciencias & Tecnol, Dept Quim, LAQV REQUIMTE, P-2829516 Caparica, Portugal

[6] Univ Turin, Dept Drug Sci & Technol, Via P Giuria 9, I-10125 Turin, Italy

来源：

CARBOHYDRATE POLYMERS | 2020年 / 227卷

关键词：

(2-Hydroxy)propyl-gamma-cyclodextrin; Aluviran; Supercritical fluid assisted spray drying; Molecular docking and dynamics; HIV/AIDS; HYDROXYPROPYL-BETA-CYCLODEXTRIN; LINEAR CONSTRAINT SOLVER; PARTICLE MESH EWALD; SOLID-STATE; INCLUSION COMPLEXES; FORCE-FIELD; P-GP; SUBSTITUTION; FORMULATION; RITONAVIR;

D O I：

10.1016/j.carbpol.2019.115287

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

Lopinavir (LPV) is currently used in combination with ritonavir for the clinical management of HIV infections due to its limited oral bioavailability. Herein, we report the application of an in silico method to study cyclodextrin (CyD) host-guest molecular interaction with LPV for the rational selection of the best CyD for developing a CyD based LPV delivery system. The predicted CyD, a (2-hydroxy)propyl-gamma derivative with high degree of substitution (HP17-gamma-CyD) was synthesized and comparatively evaluated with gamma-CyD and the commercially available HP-gamma-CyD. All complexes were prepared by supercritical assisted spray drying (SASD) and co-evaporation (CoEva) at molar ratios (1:1 and 1:2); and afterwards fully characterized. Results indicate a higher LPV amorphization and solubilization ability of HP17-gamma-CyD. The SASD processing technology also enhanced LPV solubilization and release from complexes. The application of in silico methodologies is a feasible approach for the rational and/or deductive development of CyD drug delivery systems.

引用

页数：12

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