Herbal medicine meets bioinformatics for remedy of tuberculosis by Mycobacterium tuberculosis RGTB423 Online publication date: Fri, 05-Jul-2019
by Arnab Kumar Chakraborty; Indrani Sarkar; Arnab Sen
International Journal of Data Mining and Bioinformatics (IJDMB), Vol. 22, No. 3, 2019
Abstract: Mycobacterium tuberculosis RGTB423 is the causative agent of Tuberculosis. Our aim here is to check the efficacy of a few herbal medicines to counter the rage of this highly infectious disease. The workflow here is purely data mining and bioinformatics based, here a comparative pathway analysis of the host and causative organism is done. The proteins present in these pathways are screened to obtain targets protein for in-silico drug designing. The ligands are selected from Withania somnifera, Oplopanax horridus and Aloe vera plants. Molecular docking of the phytochemicals is performed with the selected targets. Few ADMET parameters and in silico toxicology data was also checked for the ligands to confirm their druglikeness characteristics. Among the phytochemicals aloeemodin, a compound present in Aloe vera showed the best result. Aloeemodin even had better results than a few prescribed drugs and thus can be further considered for potent drug trail runs against tuberculosis.
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