Computational study of some amoebicidal phytochemicals against heat shock protein of Naegleria fowleri

Basharat, Zarrin; Zaib, Shumaila; Yasmin, Azra

doi:10.1016/j.genrep.2016.09.003

Cited by 6 publications

(1 citation statement)

References 45 publications

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“…For the discovery and development of drugs against selected targets, plethora of computational approaches such as comparative genomics, molecular docking and virtual screening are used. Previously, we reported HSP70 as potential therapeutic candidate against N. fowleri [10]. CDPs of N. fowleri could also serve as important therapeutic candidates.…”

Section: Introductionmentioning

confidence: 99%

Communication: Theoretical Insights from Binding of Neigleria fowleri Cell Division Proteins with Amoebicidal Quassinoids

Basharat

Zaib

Yasmin

2018

Preprint

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The ameboflagellate Neigleria fowleri, also known as brain eating amoeba is responsible for fatal primary amoebic meningoencephalitis (PAM) infection in humans. Cell division proteins (CDPs) in N. fowleri have been uncharacterized until now, despite their importance in the initiation of cell division and proliferation of the pathogen. Here, we report characterization and structural assembly of eight such proteins associated with division and docking them with anti-amoebic quassinoid compounds. Quassinoids have been implicated as inhibitors of cell proliferation of amoeboid species as well as tumor cells. Here, they were screened computationally to find interaction mechanism as well as binding energies with CDPs of N. fowleri. The identified inhibitors could play a role in prevention of cell division and hence, stop N. fowleri growth and proliferation during infection. This study supports CDPs as a target for anti-amoebic intervention and identifies quassinoid phytochemical compounds as suitable for optimization into a new therapy against N. fowleri.

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Section: Introductionmentioning

confidence: 99%

Communication: Theoretical Insights from Binding of Neigleria fowleri Cell Division Proteins with Amoebicidal Quassinoids

Basharat

Zaib

Yasmin

2018

Preprint

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Computation-guided inhibitor screening against the nucelocapsid of SARS-CoV-2

Basharat

Yasmin

2022

Coronavirus Drug Discovery

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GC-analysis, and Antioxidant, Anti-inflammatory, and Anticancer Activities of Some Extracts and Fractions of Linum usitatissimum

Morsi

Ahmed

Abdel-Hady

et al. 2020

CBC

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Context: Linum usitatissimum (Linn); known as Flaxseed, is one of the most important medicinal plants traditionally used for health benefits and also as nutritional purposes. Objective: Estimation of total phenolic and flavonoid contents, as well as evaluation of the antioxidant, anti-inflammatory and anticancer activities have been performed on hexane, ethyl acetate, n-butanol and methanol extracts and also, on fractions of methonal extract (hexane, ethyl acetate and n-butanol). Materials and methods: Phenolic and flavonoid contents were detected using spectrophotometric and colorimetric assays. Antioxidant and anti-inflammatory activities were estimated in-vitro. Anticancer activity of extracts was tested on hepatocellular carcinoma cell line (HepG2) and breast cancer cell line (MCF7). Results: Methanolic extract and its ethyl acetate fraction contain higher contents of total phenols and flavonoids. In addition, methanolic extract had higher antioxidant activity. Butanolic and ethyl acetate fractions at concentration 500µg/ml yielded higher percent of inhibition of protein denaturation; 87.9% and 90%, respectively. Whereas, ethyl acetate fraction and methanolic extract had anticancer activity against HepG2 and MCF7 (IC50=60±0.24 and 29.4±0.12µg.ml-1) and (IC50=94.7±0.21 and 227±0.48µg.ml-1), respectively. In GC-MS analysis, methanolic extract has 32 compounds whereas ethyl acetate and butanol fractions contain 40 and 36 compounds, respectively. Conclusion: Flaxseed contains totally different biologically active compounds that have been found to possess good variable activities, which can protect human body against several diseases.

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Computational study of some amoebicidal phytochemicals against heat shock protein of Naegleria fowleri

Cited by 6 publications

References 45 publications

Communication: Theoretical Insights from Binding of Neigleria fowleri Cell Division Proteins with Amoebicidal Quassinoids

Communication: Theoretical Insights from Binding of Neigleria fowleri Cell Division Proteins with Amoebicidal Quassinoids

Computation-guided inhibitor screening against the nucelocapsid of SARS-CoV-2

GC-analysis, and Antioxidant, Anti-inflammatory, and Anticancer Activities of Some Extracts and Fractions of Linum usitatissimum

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