A Review on Computational Study of Tribulin Compound and Its Derivatives: QSAR Studies

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Shaymaa H. Abdulrahman, Fanar M. Al-Healy, Wasan Kh. Ali


Tribulin, also known as isatin, is an indole-derived organic compound with the formula C8H5NO2. 1H-andole3,2-dione (1H-indole-2,3-dione) is a derivative of indole, which are heterocyclic compounds.Tribulin is a monoamine oxidase and benzodiazepine receptor binding inhibitor with a low molecular weight. It was extracted from human plasma and animal brain after being heavily purified from human urine.Tribulin, or Isatin and its derivatives have attracted a lot of interest in recent years due to their chemotherapeutic potential. This review provides last details on the most active isatin derivatives that have been confirmed to have anticonvulsant, antianxiety, and antipsychoactive properties. these findings can lead to new molecular modifications that result in compounds with more desirable pharmacological properties, by using the quantitative structure-activity relationship (QSAR). The evaluation of the QSAR results depends on the correlation coefficient (r2) and the cross validation coefficient (q2), which are two of the most important factors that determine the strength of the mathematical model.

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Wasan Kh. Ali, S. H. A. F. M. A.-H. . (2021). A Review on Computational Study of Tribulin Compound and Its Derivatives: QSAR Studies. Annals of the Romanian Society for Cell Biology, 25(6), 8725–8735. Retrieved from https://www.annalsofrscb.ro/index.php/journal/article/view/7113