Identification of potential lead compounds against BACE1 through in-silico screening of phytochemicals of Medhya rasayana plants for Alzheimer's disease management

Nadh, Anuroopa G.; Revikumar, Amjesh; Sudhakaran, P. R.; Nair, Achuthsankar S.

doi:10.1016/j.compbiomed.2022.105422

Cited by 8 publications

(3 citation statements)

References 57 publications

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“…In silico approaches have proven to be significant in identifying novel drug candidates and repurposing existing drugs [ 12 , 18 , 19 ]. These studies have also been instrumental in shedding light on the likely mechanisms of action of single herbal drugs [ 20 ].…”

Section: Discussionmentioning

confidence: 99%

In Silico Approaches to Polyherbal Synergy: Protocol for a Scoping Review

Chandhiruthil Sathyan,

Yadav,

Gupta

et al. 2024

JMIR Res Protoc

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Background According to the World Health Organization, more than 80% of the world’s population relies on traditional medicine. Traditional medicine is typically based on the use of single herbal drugs or polyherbal formulations (PHFs) to manage diseases. However, the probable mode of action of these formulations is not well studied or documented. Over the past few decades, computational methods have been used to study the molecular mechanism of phytochemicals in single herbal drugs. However, the in silico methods applied to study PHFs remain unclear. Objective The aim of this protocol is to develop a search strategy for a scoping review to map the in silico approaches applied in understanding the activity of PHFs used as traditional medicines worldwide. Methods The scoping review will be conducted based on the methodology developed by Arksey and O’Malley and the recommendations of the Joanna Briggs Institute (JBI). A set of predetermined keywords will be used to identify the relevant studies from five databases: PubMed, Embase, Science Direct, Web of Science, and Google Scholar. Two independent reviewers will conduct the search to yield a list of relevant studies based on the inclusion and exclusion criteria. Mendeley version 1.19.8 will be used to remove duplicate citations, and title and abstract screening will be performed with Rayyan software. The JBI System for the Unified Management, Assessment, and Review of Information tool will be used for data extraction. The scoping review will be reported based on the PRISMA-ScR (Preferred Reporting Items for Systematic Reviews and Meta-Analyses extension for Scoping Reviews) guidelines. Results Based on the core areas of the scoping review, a 3-step search strategy was developed. The initial search produced 3865 studies. After applying filters, 875 studies were short-listed for further review. Keywords were further refined to yield more relevant studies on the topic. Conclusions The findings are expected to determine the extent of the knowledge gap in the applications of computational methods in PHFs for any traditional medicine across the world. The study can provide answers to open research questions related to the phytochemical identification of PHFs, criteria for target identification, strategies applied for in silico studies, software used, and challenges in adopting in silico methods for understanding the mechanisms of action of PHFs. This study can thus provide a better understanding of the application and types of in silico methods for investigating PHFs. International Registered Report Identifier (IRRID) PRR1-10.2196/56646

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Section: Discussionmentioning

confidence: 99%

In Silico Approaches to Polyherbal Synergy: Protocol for a Scoping Review

Chandhiruthil Sathyan,

Yadav,

Gupta

et al. 2024

JMIR Res Protoc

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“…Furthermore, beta-site amyloid precursor protein-cleaving enzyme 1 (BACE1), a significant molecule involved in the etiology of AD, has been reported to be inhibited by the phytoactive compounds present in Glycyrrhiza species. Recent research conducted by Nadh et al showed that out of the 11 compounds screened, one of the bioactive compounds, N-(4-hydroxybutyl) phthalimide obtained from GB presented an inhibitory effect against BACE1 as confirmed by structure-based docking approach, and, conclusively, it was suggested that N-(4-hydroxybutyl) phthalimide could act as a potential plant-derived BACE1 inhibitor for the treatment of AD [71]. In a recent work, a bioactive compound, glycyrrhizic acid, obtained from GU, was investigated for its neuroprotective role in the scopolamine-induced memory impairment mice model.…”

Section: Glycyrrhiza Speciesmentioning

confidence: 94%

“…In addition to ginsenosides, gintonin, a bioactive compound obtained from the glycoprotein fraction of ginseng extract, has also been explored for treating AD. Gintonin has been demonstrated to activate PI3K and AKT, decrease Aβ synthesis in a dose-dependent manner, stimulate the formation of sAPP by activating ADAM10, and not only improve memory impairment brought on by Aβ neurotoxicity but also lessen the deposition of amyloid plaques in a mouse model of AD [70][71][72]. Moreover, gintonin has been found to improve learning and memory and decrease the production of Aβ by activating the phosphatidic acid receptor, which is implicated in hemolysis [73,74].…”

Section: Panax Ginsengmentioning

confidence: 99%

Unlocking the Therapeutic Potential of Medicinal Plants for Alzheimer’s Disease: Preclinical to Clinical Trial Insights

Nagori,

Nakhate,

Yadav

et al. 2023

Future Pharmacology

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Alzheimer’s disease (AD) is a progressive, multifactorial, and unremitting neurodegenerative disease characterized by memory loss, personality changes, and cognitive impairment. It has become more prevalent in recent years. Therefore, understanding the pathophysiology of AD and developing efficient therapeutic strategies are essential. Moreover, the progression of the disease is unaffected by the pharmaceutical approaches discovered to date. Additionally, the failure of over 200 potential drug candidates in clinical trials over the past decade suggests the complexity and difficulty of both the disease and its underlying causes. Therefore, research focused on medicinal plant-based natural products in the search for novel neuroprotective therapeutic candidates for AD is essential. Indeed, several scientific investigations have demonstrated the efficacy of many medicinal plants and their principal phytochemicals in the treatment of AD. This review article covered the pathophysiological mechanisms of AD, the necessity for natural products as anti-AD treatments, and the most recent preclinical studies revealing the function of neuroprotective medicinal plants and their bioactive compounds in the effective management of AD. In addition, the review also presents clinical trial data of promising anti-AD formulations/agents of plant origin. Revealing recent findings and highlighting the clinical trial data related to the development of new treatments for AD would promote further research in this field and pave the way for the development of more effective and safe treatments for this debilitating disease.

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