Host-guest interactions of indapamide with cyclodextrins : experimental and molecular modeling studies

Dissertant

al-Qudah, Ghayth M. M.

Thesis advisor

Abu al-Halawah, Rajab
al-Suud, Khaldun A.

Comitee Members

Ghanim, Raid Ahmad
al-Rimawi, Mayyas
Abu Surrah, Adnan

University

Al albayt University

Faculty

Faculty of Sciences

Department

Department of Chemistry

University Country

Jordan

Degree

Master

Degree Date

2007

English Abstract

In this work, the complexation of a-, p-, y- and HPP-CD with Indapamide (Ind) and the effect of CD type, ionic strength, pH effect, type of buffer and temperature effect were studied.

Furthermore, phase solubility diagrams (PSDs) and Molecular Modeling (MM+) have investigated the interaction of Ind with CD.

The tendency of Ind to form inclusion complexes with a-, p-, y- and HPP-CD were found to be in the order p-CD > HPp-CD > y-CD.

The a-CD shows no signs of complexation, and this might be attributed to its small cavity compared to other CDs.

Thermodynamic studies showed that 1:1 Ind / y~, P-, HPP-CD complex formation is driven by enthalpy change (AH° = -24.641, -18.631, -14.323 KJ/moI, respectively), entropy change (ΔS° = -49,661, -21.736, -8.879 J / molK, respectively) and Gibb's change (ΔG° = -9.835, -12.151, -11.676 KJ / mol, respectively).

Molecular Modeling computations using MM (bond dipole) and amber force fields, were carried out to explore possible sites of interactions between Ind and CDs, and to rationalize complex stoichiometry.

These computations gave about similar results concerning optimal inclusion complex geometries and stoichioraetries.

Theoretical modeling of Ind with CDs interaction potential through molecular mechanics force fields clearly shows that van der Waals interactions between Ind and CDs are die main forces contributing to complex stability.

Main Subjects

Chemistry

No. of Pages

95

Table of Contents

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Language

English

Data Type

Arab Theses

Record ID

BIM-321439