Thesis

Evaluation of Kalanchoe Pinnata’s Potential to Replace Pyrazinamide in Tuberculosis via In Silico Methods

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Tuberculosis (TB) is a very dangerous disease caused by Mycobacterium tuberculosis. In the year of 2019, TB has caused 1.4 million deaths, making TB one of the top 10 causes of death worldwide. Indonesia is ranked having the second highest TB burden in the world and is striving to eliminate it by 2030. Kalanchoe Pinnata is a plant found in Indonesia of potential with lots of active compounds contributing to anti-bacterial, viral, parasitic and many other medicinal effects. The purpose of this research is to evaluate compounds of K.Pinnata like luteolin, stigmasterol and others towards the binding site of pyrazinamide in tuberculosis which is aspartate decarboxylase via in silico methods to discover the potential of K.Pinnata via molecular docking, molecular dynamics, ADME and toxicity analysis. The results from molecular docking and dynamics have shown that the compounds like quercetin, luteolin, riboflavin and many others from the plant can indeed bind with incredible affinity and stability towards the binding site. Computer simulations to predict the ADMETox has also shown very promising results with the plant compounds especially, the top binders like glutinol having very safe profiles. Therefore, K.Pinnata has a very high potential must be further analyzed and proved to have these predicted effects towards tuberculosis that might replace pyrazinamide in the wet lab situations.

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Availability

Detail Information

Series Title

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Call Number

BM 22-038

Publisher

i3L, Jakarta : i3L, Jakarta., 2022

Collation

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Language

English

ISBN/ISSN

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Classification

NONE

Content Type

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Media Type

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Carrier Type

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Edition

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Subject(s)

Tuberculosis
Molecular Docking
Binding affinity
Kalanchoe Pinnata
ADMETox

Specific Detail Info

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Statement of Responsibility

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