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Home > Archives > Volume 20, No 8 (2022) > Article

DOI: 10.14704/nq.2022.20.8.NQ44514

ANTITUBERCULAR EVALUATION OF ANNONA SQUAMOSA LEAVES ON H37RV STRAIN WITH COMPUTATIONAL APPROACH

MallikaShaik, Shaik Mohammad Suhel, Shaik Akram javeed shareef, Madasu Susmitha Naidu, Fathima Asra

Abstract

Tuberculosis (TB) is an historic sickness that has affected mankind for greater than 4,000 years. TB generally affects the lungs but it could also have an effect on different elements of the body, which includes mind, intestines, kidneys, or the backbone. In pulmonary TB, it can reason signs, inclusive of continual cough, ache in the chest, hemoptysis, weak point or fatigue, weight loss, fever, and night time- sweats.Molecular docking has turned out to be more and more vital tool for drug discovery. In Molecular docking basic theories, which includes sampling algorithms and scoring features, are summarized. The variations in and overall performance of available docking software are also mentioned. Flexible receptor molecular docking processes, in particular the ones including backbone flexibility in receptors, are an undertaking for available docking methods. In present study AntiTubercular activity of Annonasquamosaleaves extract was evaluated by Luciferase enzyme and Alamar blue assay methods. The GC-MS Chromatogram done for ethyl acetate and aqueous fraction of Annonasquamosaleaf extract to identify the phytoconstituents. Molecular docking study was carried out to identify the plant constituents responsible for anti-tubercular activity by MVD and DNA gyrase enzyme was selected as target. The results revealed that thepresence of 5,7-dihydroxy2- (4-methoxyphenyl)-4H-chromen-4-one,heptadecyl 2- methoxyacetate and 7-hydroxy-2-(4- methoxyphenyl)-4H-chromen-4-one have antitubercular activity against DNA Gyrase enzyme .They are safe and good absorb orally and they may be a promising lead molecule for the Antitubercular drug development.

Keywords

Lipinski’s rule of five, Drug likeness, Molecular docking, Luciferase reporter phage assay, Gas chromatography.

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