Bacopa monnieri and Their Bioactive Compounds Inferred Multi-Target Treatment Strategy for Neurological Diseases: A Cheminformatics and System Pharmacology Approach.

Rajendran Jeyasri,Pandiyan Muthuramalingam,Vellaichami Suba,Manikandan Ramesh,Jen-Tsung Chen

doi:10.3390/biom10040536

Rajendran Jeyasri, Pandiyan Muthuramalingam + Show 3 more

Open Access

https://doi.org/10.3390/biom10040536

Copy DOI

Abstract

Neurological diseases (NDs), especially Alzheimer’s and Spinocerebellar ataxia (SCA), can severely cause biochemical abnormalities in the brain, spinal cord and other nerves of human beings. Their ever-increasing prevalence has led to a demand for new drug development. Indian traditional and Ayurvedic medicine used to combat the complex diseases from a holistic and integrative point of view has shown efficiency and effectiveness in the treatment of NDs. Bacopa monnieri is a potent Indian medicinal herb used for multiple ailments, but is significantly known as a nootropic or brain tonic and memory enhancer. This annual herb has various active compounds and acts as an alternative and complementary medicine in various countries. However, system-level insights of the molecular mechanism of a multiscale treatment strategy for NDs is still a bottleneck. Considering its prominence, we used cheminformatics and system pharmacological approaches, with the aim to unravel the various molecular mechanisms represented by Bacopa-derived compounds in identifying the active human targets when treating NDs. First, using cheminformatics analysis combined with the drug target mining process, 52 active compounds and their corresponding 780 direct receptors were retrieved and computationally validated. Based on the molecular properties, bioactive scores and comparative analysis with commercially available drugs, novel and active compounds such as asiatic acid (ASTA) and loliolide (LLD) to treat the Alzheimer’s and SCA were identified. According to the interactions among the active compounds, the targets and diseases were further analyzed to decipher the deeper pharmacological actions of the drug. NDs consist of complex regulatory modules that are integrated to dissect the therapeutic effects of compounds derived from Bacopa in various pathological features and their encoding biological processes. All these revealed that Bacopa compounds have several curative activities in regulating the various biological processes of NDs and also pave the way for the treatment of various diseases in modern medicine.

Highlights

Medicinal plants are a pivotal reservoir of plenty of pharmacologically active compounds, and have been used as a therapeutic medicine for several diseases since the ancient period
It is used in traditional medicine to treat various nervous disorders, digestive aid, improve learning, memory, and concentration and to provide relief to patients with anxiety, and skin disorders; specific uses include the treatment of asthma, insanity and epilepsy [4,5,6]
The present study aimed to explore the holistic molecular mechanism and the biological properties/pharmacological activity of phytomolecules derived from B. monnieri against Neurological diseases (NDs)

Summary

Introduction

Medicinal plants are a pivotal reservoir of plenty of pharmacologically active compounds, and have been used as a therapeutic medicine for several diseases since the ancient period. Medicinal plants are the essential backbone of traditional medicine; around 3.3 billion people in the least-developed countries are still utilizing them on a regular basis [1]. Medicinal plants offer rich resources of pharmacological ingredients that can be used in drug development. Bacopa monnieri (L.) is an important medicinal plant in Indian traditional Ayurvedic medicines. It is a small perennial herbaceous plant commonly known as ‘Brahmi’, belonging to the family Scrophulariaceae. It is a renowned Indian medicinal plant that has been used as a memory booster in the Ayurvedic medicinal system for more than 3000 years [2,3]. The plant possesses a wide variety of pharmacologically active principles including memory enhancing, tranquillizing, sedative, antidepressant, antioxidant, cognitive, anticancer, antianxiety, adaptogenic, antiepileptic, gastrointestinal effects, endocrine, gastrointestinal, smooth muscle relaxant effects, cardiovascular, analgesic, antipyretic, antidiabetic, antiarthritic, anticancer, antihypertensive, antimicrobial, antilipidemia, anti-inflammatory, neuroprotective, and hepatoprotective activities [8,9,10]

Methods

Results

Discussion

Conclusion