In silico bioprospecting of antiviral compounds from marine fungi and mushroom for rapid development of nutraceuticals against SARS-CoV-2

2021 ◽  
pp. 1-12
Author(s):  
Amit Kumar Srivastav ◽  
Jyoti Jaiswal ◽  
Umesh Kumar
Keyword(s):  
In Silico ◽  
Marine Fungi ◽  
Rapid Development ◽  
Antiviral Compounds

PERSPECTIVES OF BIOINFORMATICS FOR RESEARCHING FOOD BIOACTIVE PEPTIDES USING IN SILICO INSTRUMENTS

2020 ◽  
Author(s):  
К.А. РЯЗАНЦЕВА ◽  
Е.Ю. АГАРКОВА
Keyword(s):  
In Silico ◽  
Bioactive Peptides ◽  
Rapid Development ◽  
Biologically Active ◽  
Food Proteins ◽  
Active Peptides ◽  
Biologically Active Peptides ◽  
Speed Up ◽  
Bioinformatic Approaches

В статье приведен обзор основных классических подходов к производству биологически активных пептидов (БП) и способы их идентификации. Показано, что традиционно используемые способы получения и анализа БП требуют значительных временных и материальных затрат, что ограничивает подробные исследования и оперативную разработку БП. Новые биоинформационные подходы in silico, используемые для идентификации, характеристики, разработки биоактивных механизмов и производства БП из пищевых белков, могут упростить получение и исследование БП, что позволит ускорить разработку функциональных продуктов с использованием БП. The article describes the main classical approaches to the production of biologically active peptides and methods for their identification. It has been shown that the traditionally used methods of obtaining and analyzing bioactive peptides (BP) are not only very costly, but also require a significant amount of time, which limits detailed research and rapid development of BP. New bioinformatic approaches in silico used for identification, characterization, development of bioactive mechanisms and production of BP from food proteins can simplify the production and study of biologically active peptides, which will speed up the development of functional products using BP.

scholarly journals Application of in silico bulked segregant analysis for rapid development of markers linked to Bean common mosaic virus resistance in common bean

BMC Genomics ◽  
2014 ◽  
Vol 15 (1) ◽  
pp. 903 ◽  
Author(s):  
Marco H Bello ◽  
Samira M Moghaddam ◽  
Mark Massoudi ◽  
Phillip E McClean ◽  
Perry B Cregan ◽  
...  
Keyword(s):  
Common Bean ◽  
Mosaic Virus ◽  
Virus Resistance ◽  
In Silico ◽  
Bulked Segregant Analysis ◽  
Rapid Development ◽  
Bean Common Mosaic Virus

scholarly journals Tapping the Unexplored Potential of Marine Fungi and Edible Mushrooms for in Silico Screening of Anti-Viral Bioactive Compounds Against SARS-CoV-2 for Rapid Development of Nutraceuticals

2020 ◽  
Author(s):  
Amit Kumar Srivastav ◽  
Jyoti Jaiswal ◽  
Umesh Kumar
Keyword(s):  
Natural Resources ◽  
Bioactive Compounds ◽  
In Silico ◽  
Marine Fungi ◽  
Edible Mushroom ◽  
Edible Mushrooms ◽  
Strong Potential ◽  
Medicinal Compounds ◽  
Main Protease ◽  
In Silico Studies

<p>Severe Acute Respiratory Syndrome Coronavirus 2 (SARS- CoV-2) affects human respiratory function that causes COVID-19 disease. COVID-19 has spread rapidly all over the world and became a pandemic within no time. Therefore, it is the need of hour to screen potential lead candidates from natural resources like edible mushrooms and marine fungi. These natural resources are very less explored till now and known to be the source for many medicinal compounds with several health benefits. These medicinal compounds can be easily exploited for the faster development of nutraceuticals for controlling SARS-CoV-2 infections. Our in-silico research suggests that bioactive compounds originating from mushroom and marine fungi shows strong potential to interact with ACE2 receptor or main protease of SARS-CoV-2, showing the inhibition activity towards the enzymatic protease. We performed a series of in silico studies for the validation of our results, which includes Molecular docking, drug likeness property investigation by Swiss ADME tools, MD simulation, and thermodynamically stable free binding energy calculation. Overall, these results suggest that Ganodermadiol and Heliantriol F bioactive compounds originating from edible mushroom has strong potential to be developed as low-cost nutraceutical against SARS-CoV-2 viral infection. The drug candidate isolated from marine fungi and edible mushroom are highly unexplored for the development of potential alternative drug against SARS-CoV-2 virus with minimum side effects. That is why we decided to screen some active metabolites from the marine fungi and mushrooms, which offer some encouraging results. Though our in-silico studies of these compounds are showing a promising result against SARS-CoV-2 main protease and ACE2 receptor binding domain, the effectiveness of these bioactive compounds should be further validated by proper clinical trials.</p>

scholarly journals The Neglected Marine Fungi, Sensu stricto, and Their Isolation for Natural Products’ Discovery

Marine Drugs ◽  
2019 ◽  
Vol 17 (1) ◽  
pp. 42 ◽  
Author(s):  
David Overy ◽  
Teppo Rämä ◽  
Rylee Oosterhuis ◽  
Allison Walker ◽  
Ka-Lai Pang
Keyword(s):  
Natural Products ◽  
Best Practices ◽  
Marine Fungi ◽  
Rapid Development ◽  
Primary Source ◽  
Sensu Stricto ◽  
Molecular Techniques ◽  
Aquatic Environments ◽  
Natural Product Research ◽  
Natural Products Discovery

Despite the rapid development of molecular techniques relevant for natural product research, culture isolates remain the primary source from which natural products chemists discover and obtain new molecules from microbial sources. Techniques for obtaining and identifying microbial isolates (such as filamentous fungi) are thus of crucial importance for a successful natural products’ discovery program. This review is presented as a “best-practices guide” to the collection and isolation of marine fungi for natural products research. Many of these practices are proven techniques used by mycologists for the isolation of a broad diversity of fungi, while others, such as the construction of marine baiting stations and the collection and processing of sea foam using dilution to extinction plating techniques, are methodological adaptations for specialized use in marine/aquatic environments. To this day, marine fungi, Sensu stricto, remain one of the few underexplored resources of natural products. Cultivability is one of the main limitations hindering the discovery of natural products from marine fungi. Through encouraged collaboration with marine mycologists and the sharing of historically proven mycological practices for the isolation of marine fungi, our goal is to provide natural products chemists with the necessary tools to explore this resource in-depth and discover new and potentially novel natural products.

scholarly journals Fungal screening and phylogenetic tree construction

2020 ◽  
Vol 185 ◽  
pp. 04004
Author(s):  
Jianyang Zhou
Keyword(s):  
Phylogenetic Tree ◽  
Marine Fungi ◽  
Biological Activities ◽  
Low Cost ◽  
Rapid Development ◽  
Bioactive Substances ◽  
Tree Construction ◽  
Second Generation Sequencing ◽  
Specific Species ◽  
Biological Methods

The second-generation sequencing technology has achieved rapid development in recent years. It has the advantages of fast speed, high accuracy and low cost compared to the former sequence, so it has a widely application. Marine fungi are important sources of active Marine natural products. Due to the differences in the thermodynamic properties of land and sea and the concentration of salt oxygen, it has a great potential to produce new bioactive substances. Nowadays, scientists isolate and identify a large number of secondary metabolites with novel structures which is from marine fungi, and these compounds show excellent biological activities. For example, some are potential drugs to treat cancer. In order to search for new fungi, this article used a series of biological methods to isolate and study the bacteria isolated from huimin wharf and determine their specific species. And this paper also uses 18S rDNA to analyse the gene sequence and construe the phylogenetic tree.

scholarly journals Nigella sativa L. as a Potential Phytotherapy for COVID-19: A Mini-Review of In-silico Studies

2020 ◽  
Author(s):  
Abdulrahman E. Koshak ◽  
Emad A. Koshak
Keyword(s):  
Infectious Disease ◽  
Clinical Trials ◽  
Severe Acute Respiratory Syndrome ◽  
Literature Review ◽  
Preliminary Data ◽  
In Silico ◽  
Nigella Sativa ◽  
Antiviral Agent ◽  
Antiviral Compounds ◽  
In Silico Studies

Coronaviruses are responsible for several human diseases such as the pandemic infectious disease 2019 (COVID-19) which is caused by the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2). So far, there is no effective approved antiviral agent for SARS-CoV-2. Natural products, such as Nigella sativa (NS), provide a wealth of known antiviral compounds. This mini literature review was aimed to explore any published or preprint in-silico data on the binding affinity of NS compounds to SARS-CoV-2 targets. At least eight in-silico studies have shown that some compounds of NS, including Nigelledine, α- Hederin, Hederagenin, Thymohydroquinone, Thymoquinone, had high to moderate affinity with SARS-CoV-2 enzymes and proteins. These compounds might potentially inhibit SARS-CoV-2 replication and attachment to host cell receptors. These preliminary data proposes NS as a potential phytotherapy candidate in clinical trials for COVID-19.

scholarly journals Tapping the Unexplored Potential of Marine Fungi and Edible Mushrooms for in Silico Screening of Anti-Viral Bioactive Compounds Against SARS-CoV-2 for Rapid Development of Nutraceuticals

2020 ◽  
Author(s):  
Amit Kumar Srivastav ◽  
Jyoti Jaiswal ◽  
Umesh Kumar
Keyword(s):  
Natural Resources ◽  
Bioactive Compounds ◽  
In Silico ◽  
Marine Fungi ◽  
Edible Mushroom ◽  
Edible Mushrooms ◽  
Strong Potential ◽  
Medicinal Compounds ◽  
Main Protease ◽  
In Silico Studies

<p>Severe Acute Respiratory Syndrome Coronavirus 2 (SARS- CoV-2) affects human respiratory function that causes COVID-19 disease. COVID-19 has spread rapidly all over the world and became a pandemic within no time. Therefore, it is the need of hour to screen potential lead candidates from natural resources like edible mushrooms and marine fungi. These natural resources are very less explored till now and known to be the source for many medicinal compounds with several health benefits. These medicinal compounds can be easily exploited for the faster development of nutraceuticals for controlling SARS-CoV-2 infections. Our in-silico research suggests that bioactive compounds originating from mushroom and marine fungi shows strong potential to interact with ACE2 receptor or main protease of SARS-CoV-2, showing the inhibition activity towards the enzymatic protease. We performed a series of in silico studies for the validation of our results, which includes Molecular docking, drug likeness property investigation by Swiss ADME tools, MD simulation, and thermodynamically stable free binding energy calculation. Overall, these results suggest that Ganodermadiol and Heliantriol F bioactive compounds originating from edible mushroom has strong potential to be developed as low-cost nutraceutical against SARS-CoV-2 viral infection. The drug candidate isolated from marine fungi and edible mushroom are highly unexplored for the development of potential alternative drug against SARS-CoV-2 virus with minimum side effects. That is why we decided to screen some active metabolites from the marine fungi and mushrooms, which offer some encouraging results. Though our in-silico studies of these compounds are showing a promising result against SARS-CoV-2 main protease and ACE2 receptor binding domain, the effectiveness of these bioactive compounds should be further validated by proper clinical trials.</p>

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