Events 1st International Electronic Conference on Medicinal Chemistry

Event submissions

Published

This submission belongs to the session A. ECMC-1 of the event 1st International Electronic Conference on Medicinal Chemistry

Published date

02 Nov, 2015

Citation

Dorota Maciejewska, Jerzy Żabiński, Mateusz Rezler, Irena Wolska, Two methodologies in the molecular structure and the intermolecular interactions analysis of pharmaceuticals in the solid-state: X-ray diffraction and ¹³C CPMAS NMR data mining, in Proceedings of 1st International Electronic Conference on Medicinal Chemistry, 2 November–27 November 2015, MDPI: Basel, Switzerland, doi: 10.3390/ecmc-1-A024

Facebook

Twitter

Two methodologies in the molecular structure and the intermolecular interactions analysis of pharmaceuticals in the solid-state: X-ray diffraction and ¹³C CPMAS NMR data mining

Dorota Maciejewska ¹

Jerzy Żabiński ¹

Mateusz Rezler ¹

Irena Wolska ²

1. Medical University of Warsaw, Faculty of Pharmacy, Department of Organic Chemistry

2. Adam Mickiewicz University, Faculty of Chemistry, Department of Crystallography

Abstract

Increasing demands from the pharmaceutical industry for rapid molecular structure determination of pharmaceutical solids has prompted the development of X-ray diffraction and ¹³C CP/MAS NMR data analyses. The solid-state form of the drug can have dramatic impact on the bioavailability, and the regulatory approval for many drugs is given only for the defined polymorph.

The intermolecular interactions are crucial in interpretation of interactions between the biomolecules and macromolecular targets and their analysis can provide essential information about how they occur.

The compounds presented in this report can be considered as the pentamidine analogs, which are of interest because they have potential use as the chemotherapeutics against Pneumocystis pneumonia, as potent NMDA receptor inhibitors or as anticancer and antimicrobial agents.

Keywords

Poster

Slides_sciforum-006436.pdf

Biomolecules and Natural Medicine Preparations: Analysis of New Sources of Bioactive Compounds from Ribes and Rubus spp.

Plant Bioactive-Loaded Polymer Dressings Reduce Inﬂammation and Improve Healing in Diabetic Rat

Two methodologies in the molecular structure and the intermolecular interactions analysis of pharmaceuticals in the solid-state: X-ray diffraction and 13C CPMAS NMR data mining

Two methodologies in the molecular structure and the intermolecular interactions analysis of pharmaceuticals in the solid-state: X-ray diffraction and ¹³C CPMAS NMR data mining