Targeting Acanthamoeba proteins interaction with flavonoids of Propolis extract by in vitro and in silico studies for promising therapeutic effects

Sama‐ae, Imran; Sangkanu, Suthinee; Siyadatpanah, Abolghasem; Norouzi, Roghayeh; Chuprom, Julalak; Mitsuwan, Watcharapong; Surinkaew, Sirirat; Boonhok, Rachasak; Paul, Alok Kumar; Mahboob, Tabassum; Abtahi, Najme Sadat; Jimoh, Tajudeen O.; Oliveira, Sonia M. Rodrigues; Gupta, Madhu; Sin, Chea; Pereira, Maria de Lourdes; Wilairatana, Polrat; Wiart, Christophe; Rahmatullah, Mohammed; Dolma, Karma G.; Nissapatorn, Veeranoot

doi:10.12688/f1000research.126227.3

Cited by 5 publications

(1 citation statement)

References 67 publications

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“…Antibiotics are often used (Table 2). The most of mechanism of action of these drugs is not yet established, and it is possible that dysbiosis may occur in the ocular microbiota during treatment, promoting the elimination of nutrients or essential substances for amoeba and causing their death [36,56]. Azithromycin is the most used antibiotic for cases of skin ulcers, granulomatous encephalitis, and pneumonia, while for cases of keratitis, the most used antibiotic is gatifloxacin, an antibiotic used in ophthalmological formulations.…”

Section: Therapies Used For the Treatment Of A Castellanii Infectionsmentioning

confidence: 99%

Amebicides against Acanthamoeba castellanii: The Impact of Organism Models Used in Amebicide Assays

Geres,

Sartori,

Neves

et al. 2024

Parasitologia

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Acanthamoeba castellanii is a free-living amoeba capable of causing keratitis in humans, with most cases related to contact lens wearers and surgical procedures. In addition, A. castellanii may cause pneumonia, granulomatous encephalitis, and skin lesions in immunocompromised individuals. Considering the lack of adequate treatment for acanthamoebiasis, the aim of this review is to assess relevant original articles that covered the current arsenal of drugs and models of organisms used in the field of experimental A. castellanii infection that have been published within the last 5 years (2018–2023) in journals indexed by the following databases: Electronic Library Online (SciELO), PubMed, Medical Literature Analysis and Retrieval System Online (Medline), Latin American and Caribbean Literature in Health Sciences (Lilacs), Google Academic, and Capes Periodical Portal. Thirty articles were selected, and the main findings showed that the available therapeutics for acanthamoebiasis are still limited and nonspecific, and no innovations have occurred in the last few years. In terms of novel chemotherapeutic advances, the last findings have focused on the activity of natural products (plant-based extracts), nanoemulsions, coated particles, and photodynamic association against A. castellanii, without advancing from the bench to bedside perspective. The choice of a non-representative model system for acanthamoebiasis, as well as the limitations of studies in vivo, impairs the advancement of toxicity analyses. Efforts should be made to expand the model systems used, standardize tests for evaluating anti-A. castellanii drug candidates, and increase and support research groups focusing on the biology of A. castellanii and the pharmacology of acanthamoebiasis.

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Section: Therapies Used For the Treatment Of A Castellanii Infectionsmentioning

confidence: 99%

Amebicides against Acanthamoeba castellanii: The Impact of Organism Models Used in Amebicide Assays

Geres,

Sartori,

Neves

et al. 2024

Parasitologia

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Anti-adherent effects of Rhizophora apiculata bark and leaf extracts and computational prediction of the effects of its compound on β-tubulin interaction in Acanthamoeba triangularis genotype 4

Chimplee,

Sama-ae,

Sangkanu

et al. 2024

Vet World

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Background and Aim: Acanthamoeba, an opportunistic protozoan, exists widely in natural sources and can cause infections in humans and animals. The absence of effective monotherapy after the initial infection leads to chronic disease and recurrence. Tubulin protein is a vital target for design-targeted drug discovery. Anti-tubulin drugs are also used to treat Acanthamoeba infection, although resistance to these drugs has been observed. Therefore, it is necessary to identify a new targeted drug for Acanthamoeba infection. Therefore, this study aimed to assess the in vitro activity of ethanol extracts of Rhizophora apiculata extracts (RAE) against Acanthamoeba spp. and to predict its chemical compound on β-tubulin interaction. Materials and Methods: Acanthamoeba, an opportunistic protozoan, exists widely in natural sources and can cause infections in humans and animals. The absence of effective monotherapy after the initial infection leads to chronic disease and recurrence. Tubulin protein is a vital target for design-targeted drug discovery. Anti-tubulin drugs are also used to treat Acanthamoeba infection, although resistance to these drugs has been observed. Therefore, it is necessary to identify a new targeted drug for Acanthamoeba infection. Therefore, this study aimed to assess the in vitro activity of ethanol extracts of Rhizophora apiculata extracts (RAE) against Acanthamoeba spp. and to predict its chemical compound on β-tubulin interaction. Results: The results revealed that A. triangularis and A. polyphaga trophozoites had the highest inhibition at 90% at a MIC of 8 mg/mL after treatment with RALE and RABE, respectively, at 24 h. Those MPC values were exhibited at 16 mg/mL against A. triangularis trophozoites. In addition, both extracts inhibited the adhesive properties of all Acanthamoeba approximately 80%–90% at 4 mg/ mL, as well as adherent structural acanthopodia loss. MCC was 0.25 mg/mL, provided to be harmless to mammalian cells. GC-MS analysis supported that 8 and 11 major phytochemicals were from RABE and RALE, respectively. Molecular docking and molecular dynamics demonstrated that Acanthamoeba-β-tubulin exhibited potent root-mean-square deviation, root mean square fluctuation, and binding free energy values with clionasterol (from RABE and RALE) and stigmasterol (from RALE). Based on our results, ethanolic RABE and RALE exhibited anti-Acanthamoeba activity in reducing adhesion. In silico showed that promising clionasterol and stigmasterol interacted with a targeting β-tubulin. Conclusion: The RABE and RALE exhibited a potential adherent effect on A. triangularis, low toxicity, and the clionasterol and stigmasterol in RABE and RALE predicted to interact the targeted β-tubulin. These agents may be used as alternative therapeutic agents in the management of disease using a sustainable one-heath approach. Keywords: Acanthamoeba triangularis, anti-adherent activity, molecular docking, molecular dynamic simulation, Rhizophora, tubulin.

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Exploring Brazilian Natural Products as Potential Bioactive Compounds against Trypanosoma cruzi by Targeting Squalene Synthase

Abreu

Paschoal

Rabelo

et al. 2024

LDDD

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Introduction:: Chagas disease is a neglected disease caused by the protozoan Trypanosoma cruzi that affects 7 million people worldwide. The current treatment is limited due to safety and efficacy issues. Therefore, the search for new antiparasitic drugs is fundamental. The enzyme squalene synthase (SQS) is an attractive therapeutic target since it participates in the ergosterol biosynthesis pathway. Objective:: In the present study, we explored the Brazilian biodiversity to search for potential inhibitors of T. cruzi SQS (TcSQS) using ligand and structure-based virtual screening strategies. Materials and methods:: A virtual screening was performed within the NUBBE database, with more than 2,200 natural products (NP) or semisynthetic derivatives from the Brazilian biodiversity. Molecular docking and ADMET predictions were then performed. Results:: A set of 12 NP showed interactions with TcSQS like those observed by known inhibitors and shared literature evidence that supports the predicted activity. Conclusion:: Three compounds (flavonoids) showed good ADMET properties as potential inhibitors of TcSQS.

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Targeting Acanthamoeba proteins interaction with flavonoids of Propolis extract by in vitro and in silico studies for promising therapeutic effects

Cited by 5 publications

References 67 publications

Amebicides against Acanthamoeba castellanii: The Impact of Organism Models Used in Amebicide Assays

Amebicides against Acanthamoeba castellanii: The Impact of Organism Models Used in Amebicide Assays

Anti-adherent effects of Rhizophora apiculata bark and leaf extracts and computational prediction of the effects of its compound on β-tubulin interaction in Acanthamoeba triangularis genotype 4

Exploring Brazilian Natural Products as Potential Bioactive Compounds against Trypanosoma cruzi by Targeting Squalene Synthase

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