Year 2019, Volume 9 , Issue 1, Pages 77 - 98 2019-06-28

Genetik Fonksiyon Tahmin Yaklaşımı Kullanılarak Mycobacterium tuberculosis’e Karşı Bazı Etkili İnhibitörlerin Aktivite Modellemelerinin Yapılması
Activity Modeling of Some Potent Inhibitors Against Mycobacterium tuberculosis Using Genetic Function Approximation Approach

Shola Elijah ADENIJI [1] , Sani UBA [2] , Adamu UZAIRU [3]


Amaç: Araştırma, anti-tüberküler antagonisti olarak 1,2,4-Triazol türevlerinin aktivitesini tahmin etmeye yönelik teorik (QSAR) bir model geliştirmeyi amaçlamıştır.

Yöntem: Genetik fonksiyon yaklaşımı (GFA), 1,2,4-Triazol türevlerinin Mycobacterium tuberculosis üzerine etki tarzlarını araştırmak amacıyla kullanılmıştır. Bu yaklaşım, optimum tanımlayıcıların seçimine ve Mycobacterium tuberculosis üzerine etki değerlerini inhibitörlerin moleküler yapılarıyla ilişkilendiren korelasyon QSAR modelinin oluşturulmasına imkân vermiştir.

Sonuç: Oluşturulan model doğrulanmış ve korelasyon katsayısının karesi (R2) 0.9134, düzeltilmiş korelasyon katsayısının karesi (Radj) 0.8753 ve tek-çıkışlı (LOO) çapraz doğrulama katsayı () değeri 0.8231 olarak bulunmuştur. Modelin öngörücü gücünü doğrulamak için kullanılan harici doğrulama seti, 0.7482  'ye sahiptir.

Tartışma: Doğrulama testi ile elde edilen modelin güvenilirliği, kararlılığı ve sağlamlığı, modelin, gelişmiş anti-füberküler aktivitesine sahip diğer 1,2,4-Triazol türevlerini tasarlamak ve sentezlemek için kullanılabileceğini göstermektedir.

Objectives: The research aimed to develop a theoretical (QSAR) model for predicting the activity of 1,2,4-Triazole derivatives as anti-tubercular antagonist.

Methods: Genetic function approximation (GFA) was employed on a dataset of 1,2,4-Triazole derivatives to investigate their activities behavior on mycobacterium tuberculosis. This  approach led to selection of the optimum descriptors and to generate the correlation QSAR model that relate their activities values against mycobacterium tuberculosis with the molecular structures of the inhibitors.

Results: The built model was validated and was found to have squared correlation coefficient (R2) of 0.9134, adjusted squared correlation coefficient (Radj) of 0.8753 and Leave one out (LOO) cross validation coefficient () value of 0.8231. The external validation set used for confirming the predictive power of the model has R2pred of 0.7482.

Conclusion: Reliability, stability and robustness of the model obtained by the validation test indicate that the model can be used to design and synthesis other 1,2,4-Triazole derivatives with improved anti-tubercular  activities.

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Primary Language en
Subjects Basic Sciences
Journal Section Table of Contents
Authors

Orcid: 0000-0002-7750-8174
Author: Shola Elijah ADENIJI (Primary Author)
Country: Turkey


Author: Sani UBA

Orcid: 0000-0002-6973-6361
Author: Adamu UZAIRU

Dates

Publication Date : June 28, 2019

Bibtex @research article { adyusci450559, journal = {Adıyaman University Journal of Science}, issn = {2147-1630}, eissn = {2146-586X}, address = {}, publisher = {Adıyaman University}, year = {2019}, volume = {9}, pages = {77 - 98}, doi = {}, title = {Activity Modeling of Some Potent Inhibitors Against Mycobacterium tuberculosis Using Genetic Function Approximation Approach}, key = {cite}, author = {ADENIJI, Shola Elijah and UBA, Sani and UZAIRU, Adamu} }
APA ADENIJI, S , UBA, S , UZAIRU, A . (2019). Activity Modeling of Some Potent Inhibitors Against Mycobacterium tuberculosis Using Genetic Function Approximation Approach. Adıyaman University Journal of Science , 9 (1) , 77-98 . Retrieved from https://dergipark.org.tr/en/pub/adyusci/issue/46527/450559
MLA ADENIJI, S , UBA, S , UZAIRU, A . "Activity Modeling of Some Potent Inhibitors Against Mycobacterium tuberculosis Using Genetic Function Approximation Approach". Adıyaman University Journal of Science 9 (2019 ): 77-98 <https://dergipark.org.tr/en/pub/adyusci/issue/46527/450559>
Chicago ADENIJI, S , UBA, S , UZAIRU, A . "Activity Modeling of Some Potent Inhibitors Against Mycobacterium tuberculosis Using Genetic Function Approximation Approach". Adıyaman University Journal of Science 9 (2019 ): 77-98
RIS TY - JOUR T1 - Activity Modeling of Some Potent Inhibitors Against Mycobacterium tuberculosis Using Genetic Function Approximation Approach AU - Shola Elijah ADENIJI , Sani UBA , Adamu UZAIRU Y1 - 2019 PY - 2019 N1 - DO - T2 - Adıyaman University Journal of Science JF - Journal JO - JOR SP - 77 EP - 98 VL - 9 IS - 1 SN - 2147-1630-2146-586X M3 - UR - Y2 - 2019 ER -
EndNote %0 Adıyaman Üniversitesi Fen Bilimleri Dergisi Activity Modeling of Some Potent Inhibitors Against Mycobacterium tuberculosis Using Genetic Function Approximation Approach %A Shola Elijah ADENIJI , Sani UBA , Adamu UZAIRU %T Activity Modeling of Some Potent Inhibitors Against Mycobacterium tuberculosis Using Genetic Function Approximation Approach %D 2019 %J Adıyaman University Journal of Science %P 2147-1630-2146-586X %V 9 %N 1 %R %U
ISNAD ADENIJI, Shola Elijah , UBA, Sani , UZAIRU, Adamu . "Activity Modeling of Some Potent Inhibitors Against Mycobacterium tuberculosis Using Genetic Function Approximation Approach". Adıyaman University Journal of Science 9 / 1 (June 2019): 77-98 .
AMA ADENIJI S , UBA S , UZAIRU A . Activity Modeling of Some Potent Inhibitors Against Mycobacterium tuberculosis Using Genetic Function Approximation Approach. Adıyaman University Journal of Science. 2019; 9(1): 77-98.
Vancouver ADENIJI S , UBA S , UZAIRU A . Activity Modeling of Some Potent Inhibitors Against Mycobacterium tuberculosis Using Genetic Function Approximation Approach. Adıyaman University Journal of Science. 2019; 9(1): 98-77.