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Keywords = Crescentia cujete

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14 pages, 5891 KiB  
Article
In Silico Analysis of Anti-Inflammatory and Antioxidant Properties of Bioactive Compounds from Crescentia cujete L.
by Alecsanndra L. Gonzales, Steven Kuan-Hua Huang, Ureah Thea A. Sevilla, Cheng-Yang Hsieh and Po-Wei Tsai
Molecules 2023, 28(8), 3547; https://doi.org/10.3390/molecules28083547 - 18 Apr 2023
Cited by 11 | Viewed by 6812
Abstract
Crescentia cujete is widely known as a medical plant with broad indigenous ethnomedicinal uses, including anti-inflammatory, and antioxidant. Despite being used for remedies and ethnomedicinal purposes, the benefits obtained from C. cujete still need to be fully utilized. The underwhelming studies on its [...] Read more.
Crescentia cujete is widely known as a medical plant with broad indigenous ethnomedicinal uses, including anti-inflammatory, and antioxidant. Despite being used for remedies and ethnomedicinal purposes, the benefits obtained from C. cujete still need to be fully utilized. The underwhelming studies on its pharmacological potential, bioactive compounds, and mechanism of action keep the pharmacological and new drug discovery progress of this plant slow. This study focuses on the incorporation of in silico analyses such as ADME prediction and molecular docking simulations on the bioactive compounds identified in the plant to assess their potential for antioxidant and anti-inflammatory applications. A comparison of the ADME properties and molecular docking scores showed that naringenin, pinocembrin, and eriodictyol had the most potential to act as inhibitors of the target proteins involved in inflammation and oxidation pathways against the positive controls. Full article
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26 pages, 6579 KiB  
Article
Cheminformatics Bioprospection of Broad Spectrum Plant Secondary Metabolites Targeting the Spike Proteins of Omicron Variant and Wild-Type SARS-CoV-2
by Jamiu Olaseni Aribisala, Christiana Eleojo Aruwa, Taofik Olatunde Uthman, Ismaila Olanrewaju Nurain, Kehinde Idowu and Saheed Sabiu
Metabolites 2022, 12(10), 982; https://doi.org/10.3390/metabo12100982 - 17 Oct 2022
Cited by 12 | Viewed by 2674
Abstract
The spike protein (SP) of SARS-CoV-2 (SC-2) is susceptible to high mutation and has contributed to the multiple waves of COVID-19 being experienced. Hence, targeting the SP remains a logical approach in the development of potent therapeutics against SARS-CoV-2. Here, a computational technique [...] Read more.
The spike protein (SP) of SARS-CoV-2 (SC-2) is susceptible to high mutation and has contributed to the multiple waves of COVID-19 being experienced. Hence, targeting the SP remains a logical approach in the development of potent therapeutics against SARS-CoV-2. Here, a computational technique was adopted to identify broad-spectrum plant secondary metabolites with indigenous relevance in the management of respiratory infections against the SPs of the SC-2 wild- type (SC-2WT) and omicron variants. Following 100 ns molecular dynamic (MD) simulation and binding free energy calculation of the top five compounds identified through molecular docking, maysin (SC-2WT (−34.85 kcal/mol), omicron (−38.88 kcal/mol)) and geraniin (SC-2WT (−36.90 kcal/mol) omicron (−31.28 kcal/mol)) had better broad-spectrum activities for the investigated SPs than zafirlukast (SC-2WT (−33.73 kcal/mol) omicron (−22.38 kcal/mol)). Furthermore, 6-hydroxycyanidin-3-rutinoside (−42.97 kcal/mol) and kaempferol-7-glucoside (−37.11 kcal/mol) had the best affinity for the SPs of omicron and SC-2WT, respectively. Interestingly, except for Kaempferol-7-glucoside against omicron SP, all the top-ranked compounds were thermodynamically stable with the SP of both variants, and this observation was linked to the number, nature, and bond length in the resulting complexes in each case. Also, except for geraniin, all the top-ranked compounds had lower toxicity profiles compared to zafirlukast and this could be attributed to their phenolic moieties. Nevertheless, the in vitro and in vivo confirmation of the activities observed in this study is recommended, especially for maysin and geraniin with the best broad-spectrum activity, towards development of COVID-19 drug candidates. Full article
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12 pages, 33133 KiB  
Article
Cellular Investigations on Mechanistic Biocompatibility of Green Synthesized Calcium Oxide Nanoparticles with Danio rerio
by Rashke Eram, Puja Kumari, Pritam Kumar Panda, Sonal Singh, Biplab Sarkar, M. Anwar Mallick and Suresh K. Verma
J. Nanotheranostics 2021, 2(1), 51-62; https://doi.org/10.3390/jnt2010004 - 9 Mar 2021
Cited by 32 | Viewed by 7475
Abstract
The utility of calcium oxide nanoparticles in the biomedical and physical fields has instigated their biocompatible synthesis and production. Moreover, it is important to investigate their biocompatibility at the molecular level for biomedical and ecotoxicological concern. This study explores the green synthesis of [...] Read more.
The utility of calcium oxide nanoparticles in the biomedical and physical fields has instigated their biocompatible synthesis and production. Moreover, it is important to investigate their biocompatibility at the molecular level for biomedical and ecotoxicological concern. This study explores the green synthesis of calcium oxide nanoparticles (CaONP) using Crescentia cujete leaf extract. The synthesized CaONP were found to have a size of 62 ± 06 nm and a hydrodynamic diameter of 246 ± 12 nm, as determined by FE-SEM and dynamic light scattering (DLS). CaONP was stable in fish medium with a zeta potential of −23 ± 11 mV. The biocompatibility of the CaONP was investigated with adult zebrafish bearing an LC50 of 86.32 µg/mL. Cellular and molecular investigation revealed the mechanism of biocompatibility as a consequence of elicited reactive oxygen species leading to apoptosis, due to accumulation and internalization of CaONP in exposed zebrafish. The study provided detailed information about the mechanistic biocompatibility and a defined horizon of green synthesis of CaONP for biomedical and ecological purposes. Full article
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17 pages, 6073 KiB  
Article
The Agroforestry Heritage System of Sabana De Morro in El Salvador
by Antonio Santoro, Ever Alexis Martinez Aguilar, Martina Venturi, Francesco Piras, Federica Corrieri, Juan Rosa Quintanilla and Mauro Agnoletti
Forests 2020, 11(7), 747; https://doi.org/10.3390/f11070747 - 9 Jul 2020
Cited by 6 | Viewed by 5262
Abstract
Traditional agroforestry systems are recognized as having great importance for providing multiple benefits for local communities all over the world, especially in tropical countries. Thanks to their multifunctional role, they can support small farmers, contribute to hydrogeological risk reduction, water regulation, preservation of [...] Read more.
Traditional agroforestry systems are recognized as having great importance for providing multiple benefits for local communities all over the world, especially in tropical countries. Thanks to their multifunctional role, they can support small farmers, contribute to hydrogeological risk reduction, water regulation, preservation of soil, agrobiodiversity and landscape, as well as being examples of mitigation and adaptation towards climate change. The Globally Important Agricultural Heritage Systems (GIAHS) programme of the Food and Agriculture Organization (FAO) aims to identify agricultural systems of global importance, preserving landscape, agrobiodiversity and traditional knowledge, through dynamic conservation principles. The Sabana de Morro is a traditional agroforestry system located in El Salvador based on cattle grazing in pastures with the presence of Crescentia alata and Crescentia cujete trees, locally called Morro or Jícaro. We documented the main characteristics of this system, that has never been deeply studied, in the Municipality of Dolores, in accordance with the five GIAHS criteria, and through detailed land use mapping, to assess the relations between landscape structure, agrobiodiversity and traditional silvopastoral practices. Sabana de Morro proved to be based on strong interactions between trees, cattle and farmers. The pulp of the Morro fruits is eaten by grazing cattle, completing their feeding and giving a peculiar taste to the locally produced cheese. Morro trees provide shade for the animals while cattle contribute by spreading their seeds that also take advantage of the manure. Results show that this agroforestry system contributes to the preservation of a rich agrobiodiversity and of the traditional landscape. At the same time, it supports local farmers’ livelihood and is consistent with the aim of the GIAHS programme, even if further surveys and research are needed to assess the real possibility of the inclusion in this FAO programme. Full article
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