Effectiveness of phytoproducts against pathogenic free-living amoebae - A scoping and critical review paving the way toward plant-based pharmaceuticals

Review

Author: da Silva, Thaisla Cristiane Borella ; Zanette, Régis Adriel ; Leite, Ana Paula Marçal Copetti ; Rott, Felipe Brittes ; Rott, Eduardo Brittes ; Rott, Marilise Brittes ; Chaúque, Beni Jequicene Mussengue ; Benitez, Guilherme Brittes ; Neuana, Neuana Fernando ; Goldim, José Roberto

Infections caused by free-living amoebae (FLA) have increased worldwide and are expected to worsen. The lack of drugs that are effective (especially against cysts), affordable, and safe to treat these infections exacerbates the concern. Plants present a promising source of bioactive compounds for developing effective drugs; however, the scientific literature on this topic has yet to be adequately synthesized. This work provides a critical scoping review summarizing the amoebicidal performance of plant-derived products and their potential for developing effective drugs to treat FLA infections. Out of 5889 articles retrieved from multiple databases, 119 articles were selected, from which data on 180 plant species belonging to 127 genera and 62 families were extracted. The extracts, essential oils, and compounds from these plants exhibited a diverse range of potency against cysts and trophozoites. Among the compounds studied, periglaucine A, kolavenic acid, and (+)-elatol are promising cysticidal drug candidates due to their high potency, as well as their known low toxicity to non-target cells. Tovophillin A, gartinin, 8-deoxygartinin, garcinone E, 9-hydroxycalabaxanthone, γ-mangostin, and borneol also exhibit high cysticidal potency, but their selectivity profile is unknown. Resveratrol, rosmarinic acid, β-amyrin, and vanillic acid stand out for their high potency against trophozoites and low toxicity to mammalian cells. Another group of compounds with similarly high trophocidal potency includes (-)-epicatechin, (-)-epigallocatechin, apigenin, costunolide, demethoxycurcumin, kaempferol, methyl-β-orcinolcarboxylate, sakuraetin, (+)-elatol, debromolaurinterol, luteolin, (-)-rogiolol, cystomexicone B, epigallocatechin gallate, quercetin, and α-bisabolol. These compounds are priority candidates for further studies on in vivo efficacy, safety, pharmacokinetics, and pharmacodynamics.

01 Apr 2024·Molecular Biotechnology

Dioxinodehydroeckol: A Potential Neuroprotective Marine Compound Identified by In Silico Screening for the Treatment and Management of Multiple Brain Disorders

Article

Author: Sachdeva, Punya ; Rafeeq, Misbahuddin M ; Soni, Hemant ; Alam, Mohammad Zubair ; Singh, Gagandeep ; Sachdeva, Bhuvi ; Baeissa, Hanadi M ; Tandon, Smriti ; Khalid, Mohammad ; Ahmad, Faizan

Neurodegenerative disorders such as Alzheimer's disease (AD), Glioblastoma multiforme (GBM), Amyotrophic lateral sclerosis (ALS), and Parkinson's disease (PD) are some of the most prevalent neurodegenerative disorders in humans. Even after a variety of advanced therapies, prognosis of all these disorders is not favorable, with survival rates of 14-20 months only. To further improve the prognosis of these disorders, it is imperative to discover new compounds which will target effector proteins involved in these disorders. In this study, we have focused on in silico screening of marine compounds against multiple target proteins involved in AD, GBM, ALS, and PD. Fifty marine-origin compounds were selected from literature, out of which, thirty compounds passed ADMET parameters. Ligand docking was performed after ADMET analysis for AD, GBM, ALS, and PD-associated proteins in which four protein targets Keap1, Ephrin A2, JAK3 Kinase domain, and METTL3-METTL14 N6-methyladenosine methyltransferase (MTA70) were found to be binding strongly with the screened compound Dioxinodehydroeckol (DHE). Molecular dynamics simulations were performed at 100 ns with triplicate runs to validate the docking score and assess the dynamics of DHE interactions with each target protein. The results indicated Dioxinodehydroeckol, a novel marine compound, to be a putative inhibitor among all the screened molecules, which might be effective against multiple target proteins involved in neurological disorders, requiring further in vitro and in vivo validations.

03 May 2023·Journal of Biomolecular Structure and Dynamics

In silico screening of the effectiveness of natural compounds from algae as SARS-CoV-2 inhibitors: molecular docking, ADMT profile and molecular dynamic studies

Article

Author: El Omri, Abdelfatteh ; Chaieb, Kamel ; Bayoumi, Ahmed Atef Mohamed ; Altayb, Hisham N. ; Mohammed Ali, Hani S. H. ; Firoz, Ahmad

Marine species are known as rich sources of metabolites largely involved in the pharmaceutical industry. This study aimed to evaluate in silico the effect of natural compounds identified in algae on the SARS-CoV-2 Main protease, RNA-dependent-RNA polymerase activity (RdRp), endoribonuclease (NSP15) as well as on their interaction with viral spike protein. A total of 45 natural compounds were screened for their possible interaction on SARS-CoV-2 target proteins using Maestro interface for molecular docking, molecular dynamic (MD) simulation to estimate compounds binding affinities. Among the algal compounds screened in this study, three (Laminarin, Astaxanthin and 4'-chlorostypotriol triacetate) exhibited the lowest docking energy and best interaction with SARS-CoV-2 viral proteins (Main protease, RdRp, Nsp15, and spike protein). The complex of the main protease with laminarin shows the most stable RMSD during a 150 ns MD simulation time. Which indicates their possible inhibitory activity on SARS-CoV-2.Communicated by Ramaswamy H. Sarma.

100 Deals associated with Elatol

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Indication	Highest Phase	Country/Location	Organization	Date
Neoplasms	Preclinical	United States	University of Miami	10 Dec 2022
Neoplasms	Preclinical	Switzerland	BiognoSYS AG	10 Dec 2022
Chronic Myelogenous Leukemia	Preclinical	United States	The University of Miami Leonard M. Miller School of Medicine	05 Nov 2021
Non-Hodgkin Lymphoma	Preclinical	United States	The University of Miami Leonard M. Miller School of Medicine	05 Nov 2021

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