A Quantitative Structure Activity Relationship (QSAR) Study on Anthrapyrazoles anticancer agents

الموضوعات

علوم بحتة وطبيعية

الملخص

Agents that complex DNA have been established as one of the most effective classes of anticancer agents in clinical use today, with broad application against a number of malignant diseases. The anthracyclines, primarily Daunorubicin and doxorubicin, are representative of this class and are widely utilized clinically. Cumulative cardio toxicity, however, has limited their use. Subsequently, a considerable effort has been made to develop newer anthracycline analogues and other types of DNA- complexing agents in the hope that high levels of broad spectrum anticancer activity might be retained with a relatively low potential for cardio toxicity. Among these latter agents under clinical evaluation are the anthrapyrazoles, a novel class of chromophore-modified anthracenediones related to Mitoxantrone.In this thesis an approach to develop a quantitative structure-activity relationship (QSAR) model (s) that could correlate (s) the structural features of anthrapyrazole (AP) based compounds with their physicochemical, steric, electronic, and structural molecular descriptors was attempted. A set of 18 desoxy anthrapyrazole and 18 dihydroxy anthrapyrazole compounds were used in the models development,’ where 12 of these compounds were in the training set and the remaining 6 compounds of each were used as cross validation (external) sets. The development of the QSAR models involved the use of the multiple linear regression analysis (MLRA) method. Based on the method, two models were chosen to be the best ones for prediction purposes, a desoxy model with r2 value, r2 (CV) value and r2 prediction value of 0.87, 0.71 and 0.70 and a dihydroxy model with r2 value, r2 (CV) value and r2 prediction value of 0.674, 0.586 and 0.213 were obtained.

روابط وملفات

التعريف والنوع

رقم الوثيقة

0f194205-3261-4e84-924d-e1040e4a928f

رقم العقد

0

نوع الوسائط

Crawler

نوع المحتوى

الرسائل العلمية

صيغة المصدر

رسائل دكتوراة

نوع الملف

pdf text

أسماء الملفات

21302_1.pdf, 21302_2.pdf, 21302_3.pdf, 21302_4.pdf, 21302_5.pdf, 21302_6.pdf

بيانات النشر

ترجمة العنوان

دراسة كمية لعلاقة التركيب بالفاعلية لمركبات الانثرابايرازول كمضادات للسرطان

ألقاب المؤلفين

[{"name_ar":" Ahmed E. M. Saeed","title_ar":"اشراف","title_en":"Supervision"},{"name_ar":"Howida Abdalla Hashim Ismaiel","title_ar":"اعداد","title_en":"Preparation"},{"name_ar":"Mohamed O. M. Ahmed El-Faki","title_ar":"اشراف","title_en":"Supervision"}]

اللغة

English

المصدر والدورية

اسم المصدر

A Quantitative Structure Activity Relationship (QSAR) Study on Anthrapyrazoles anticancer agents

المحتوى والصفحات

عدد الصفحات

0

إشراف وإعداد

الإشراف

Ahmed E. M. Saeed, Mohamed O. M. Ahmed El-Faki

الإعداد

Howida Abdalla Hashim Ismaiel

الاقتباسات الببليوغرافية