Structural Exploration And Study Of The Qsar Properties Of Several Series Of Macrolide Antibiotics.
2021
Thèse de Doctorat
Biologie Et Sciences De La Nature Et De La Vie

Université Mohamed Khider - Biskra

Z
Zitouni, Karima

Résumé: In this work a fundamental and original research on the 14- membered macrolide, the aim is to predict the reactivity and biological activity of the compound studied and its derivatives. The molecular modeling methods used in our work are: MM+, PM3 and ab initio/HF(STO- 3G). These methods were used to determine the structural parameters, electronics and energy associated with molecules studied. The nature of such substituent (donor, acceptor) affects the electronic and energy parameters of basic core of the 14- membered macrolide. Indeed, this qualitative study allows us to predict the chemical reactivity of derivatives of the 14- membered macrolide and also the ketolides. A study of structure - property relationships (SPR) forthe 14- membered macrolide derivatives has been carried out for a series of bioactive derivatives of the 14- membered macrolide. QSAR studies have been performed on fifty molecules of the 14- membered macrolide as the antibiotics, multiple linear regression analysis was performed to derive QSAR models which were further evaluated internally for the prediction of activity. The developed models were cross-validated by the ‘leave one out’ technique as well as by the calculation of statistical parameters LOO. High correlation between experimental and predicted activity values was observed, indicating the validation and the good quality of the derived QSAR models

Mots-clès:

Nos services universitaires et académiques

Thèses-Algérie vous propose ses divers services d’édition: mise en page, révision, correction, traduction, analyse du plagiat, ainsi que la réalisation des supports graphiques et de présentation (Slideshows).

Obtenez dès à présent et en toute facilité votre devis gratuit et une estimation de la durée de réalisation et bénéficiez d'une qualité de travail irréprochable et d'un temps de livraison imbattable!

Comment ça marche?
Nouveau
Si le fichier est volumineux, l'affichage peut échouer. Vous pouvez obtenir le fichier directement en cliquant sur le bouton "Télécharger".


footer.description

Le Moteur de recherche des thèses, mémoires et rapports soutenus en Algérie

Doctorat - Magister - Master - Ingéniorat - Licence - PFE - Articles - Rapports


©2025 Thèses-Algérie - Tous Droits Réservés
Powered by Abysoft