A Derived QSAR Model for Predicting Some Compounds as Potent Antagonist against Mycobacterium tuberculosis: A Theoretical Approach
المؤلفون المشاركون
Adeniji, Shola Elijah
Uba, Sani
Uzairu, Adamu
Arthur, David Ebuka
المصدر
Advances in Preventive Medicine
العدد
المجلد 2019، العدد 2019 (31 ديسمبر/كانون الأول 2019)، ص ص. 1-18، 18ص.
الناشر
Hindawi Publishing Corporation
تاريخ النشر
2019-05-02
دولة النشر
مصر
عدد الصفحات
18
التخصصات الرئيسية
الملخص EN
Development of more potent antituberculosis agents is as a result of emergence of multidrug resistant strains of M.
tuberculosis.
Novel compounds are usually synthesized by trial approach with a lot of errors, which is time consuming and expensive.
QSAR is a theoretical approach, which has the potential to reduce the aforementioned problem in discovering new potent drugs against M.
tuberculosis.
This approach was employed to develop multivariate QSAR model to correlate the chemical structures of the 2,4-disubstituted quinoline analogues with their observed activities using a theoretical approach.
In order to build the robust QSAR model, Genetic Function Approximation (GFA) was employed as a tool for selecting the best descriptors that could efficiently predict the activities of the inhibitory agents.
The developed model was influenced by molecular descriptors: AATS5e, VR1_Dzs, SpMin7_Bhe, TDB9e, and RDF110s.
The internal validation test for the derived model was found to have correlation coefficient (R2) of 0.9265, adjusted correlation coefficient (R2 adj) value of 0.9045, and leave-one-out cross-validation coefficient (Q_cv∧2) value of 0.8512, while the external validation test was found to have (R2 test) of 0.8034 and Y-randomization coefficient (cR_p∧2) of 0.6633.
The proposed QSAR model provides a valuable approach for modification of the lead compound and design and synthesis of more potent antitubercular agents.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Adeniji, Shola Elijah& Uba, Sani& Uzairu, Adamu& Arthur, David Ebuka. 2019. A Derived QSAR Model for Predicting Some Compounds as Potent Antagonist against Mycobacterium tuberculosis: A Theoretical Approach. Advances in Preventive Medicine،Vol. 2019, no. 2019, pp.1-18.
https://search.emarefa.net/detail/BIM-1121795
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Adeniji, Shola Elijah…[et al.]. A Derived QSAR Model for Predicting Some Compounds as Potent Antagonist against Mycobacterium tuberculosis: A Theoretical Approach. Advances in Preventive Medicine No. 2019 (2019), pp.1-18.
https://search.emarefa.net/detail/BIM-1121795
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Adeniji, Shola Elijah& Uba, Sani& Uzairu, Adamu& Arthur, David Ebuka. A Derived QSAR Model for Predicting Some Compounds as Potent Antagonist against Mycobacterium tuberculosis: A Theoretical Approach. Advances in Preventive Medicine. 2019. Vol. 2019, no. 2019, pp.1-18.
https://search.emarefa.net/detail/BIM-1121795
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references
رقم السجل
BIM-1121795
قاعدة معامل التأثير والاستشهادات المرجعية العربي "ارسيف Arcif"
أضخم قاعدة بيانات عربية للاستشهادات المرجعية للمجلات العلمية المحكمة الصادرة في العالم العربي
تقوم هذه الخدمة بالتحقق من التشابه أو الانتحال في الأبحاث والمقالات العلمية والأطروحات الجامعية والكتب والأبحاث باللغة العربية، وتحديد درجة التشابه أو أصالة الأعمال البحثية وحماية ملكيتها الفكرية. تعرف اكثر