In Silico Investigation of Suillin Derived from Suillus luteus Mushroom (Agaricomycetes), Targeting Acetylcholinesterase: Docking and Virtual Screening Study
{"title":"In Silico Investigation of Suillin Derived from Suillus luteus Mushroom (Agaricomycetes), Targeting Acetylcholinesterase: Docking and Virtual Screening Study","authors":"ADITYA GANESHPURKAR, Ankit Ganeshpurkar, Pushpendra Kumar Khangar, Likhit Akotkar, Swati Jain, Harshal Prajapati, Nazneen Dubey","doi":"10.1615/intjmedmushrooms.2024055215","DOIUrl":null,"url":null,"abstract":"This study integrates bioinformatics and computer-aided drug discovery to assess Suillin's therapeutic potential, particularly its interaction with acetylcholinesterase (AChE). Alzheimer's disease presents profound challenges, necessitating effective treatments to mitigate cognitive decline and improve patient quality of life. While current medications offer symptomatic relief, they often entail adverse effects and do not address the\nunderlying disease progression. Natural sources, such as macrofungi mushrooms, hold promise for novel drug discovery due to their bioactive compounds; diverse therapeutic properties. Suillin, derived from Suillus luteus mushrooms, shows promise as a mixed-type AChE inhibitor, crucial for maintaining acetylcholine levels in neurodegenerative disorders like Alzheimer's disease. Computational docking studies reveal suillin's distinctive interactions with AChE, suggesting potential modulation of enzyme function through various bonding mechanisms. The Molinspiration drug-likeness score further supports Suillin's efficacy, indicating its suitability for enzyme inhibition. By combining computational and bioinformatics approaches, this study elucidates suillin's molecular interactions and underscores its potential as a therapeutic agent.","PeriodicalId":14025,"journal":{"name":"International journal of medicinal mushrooms","volume":"47 1","pages":""},"PeriodicalIF":1.4000,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"International journal of medicinal mushrooms","FirstCategoryId":"99","ListUrlMain":"https://doi.org/10.1615/intjmedmushrooms.2024055215","RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"MYCOLOGY","Score":null,"Total":0}
引用次数: 0
Abstract
This study integrates bioinformatics and computer-aided drug discovery to assess Suillin's therapeutic potential, particularly its interaction with acetylcholinesterase (AChE). Alzheimer's disease presents profound challenges, necessitating effective treatments to mitigate cognitive decline and improve patient quality of life. While current medications offer symptomatic relief, they often entail adverse effects and do not address the
underlying disease progression. Natural sources, such as macrofungi mushrooms, hold promise for novel drug discovery due to their bioactive compounds; diverse therapeutic properties. Suillin, derived from Suillus luteus mushrooms, shows promise as a mixed-type AChE inhibitor, crucial for maintaining acetylcholine levels in neurodegenerative disorders like Alzheimer's disease. Computational docking studies reveal suillin's distinctive interactions with AChE, suggesting potential modulation of enzyme function through various bonding mechanisms. The Molinspiration drug-likeness score further supports Suillin's efficacy, indicating its suitability for enzyme inhibition. By combining computational and bioinformatics approaches, this study elucidates suillin's molecular interactions and underscores its potential as a therapeutic agent.
期刊介绍:
The rapid growth of interest in medicinal mushrooms research is matched by the large number of disparate groups that currently publish in a wide range of publications. The International Journal of Medicinal Mushrooms is the one source of information that will draw together all aspects of this exciting and expanding field - a source that will keep you up to date with the latest issues and practice. The International Journal of Medicinal Mushrooms published original research articles and critical reviews on a broad range of subjects pertaining to medicinal mushrooms, including systematics, nomenclature, taxonomy, morphology, medicinal value, biotechnology, and much more.