Withanolides from Withania somnifera as an immune booster and their therapeutic option against COVID-19

Abstract

Aim: The present study aimed to investigate the withanolides as an immune system booster and anti-viral agents against the coronavirus.Materials and Methods: Reported withanolides from Withinana somnifera were retrieved from the open-source database i.e. ChEBI, PCIDB and Dr. Duke's Phytochemical and Ethnobotanical Databases. Their protein-based targets were predicted using DigepPred and the protein-protein interaction was evaluated using STRING. Similarly, the drug-likeness score of individual compounds was predicted using MolSoft and intestinal absorptivity was predicted using the boiled-egg model. The network among the compounds, proteins, and modulated pathways was constructed using Cytoscape and the docking was performed using autodock4.0.Results: Withanoloid Q was predicted to modulate the highest number of proteins, showed positive human intestinal absorption and had the highest druglikeness score. Similarly, combined network interaction identified withanolide Q to target the highest number of proteins; RAC1 was majorly modulated and regulating Fluid shear stress and atherosclerosis as a majorly regulated pathway. Similarly, Withanolide D and Withanolide G were predicted to have the better binding affinity with PLpro, Withanolide M with 3clpro, and Withanolide M with spike protein based on binding energy and number of hydrogen bond interactions. Conclusion: Among the multiple withanolides from Withania somnifera, withanolide-D, -G, -M, and -Q were predicted as a lead hit based on druglikeness score, modulated proteins, and docking score to boost immune system and inhibit the COVID infection.

Phytotherapy for treatment of cytokine storm in COVID-19

“…Also, among various withanolides, withanolide_D and withanolide_G showed higher binding affinity with PLpro whereas withanolide_M showed better binding with 3CLpro and spike protein. In comparison to all these withanolides, withanolide_Q was found to modulate higher number of proteins [73]. In addition to ACE-2 receptor, SARS-CoV-2 invades human cell by recognizing Glucose-Regulated Protein 78 (GRP78) receptor through its substrate binding domain (SBD).…”

Ekal dravya (Single Herbal Drug) exploit in Covid 19 – A Review

“…The purpose of the current examination is to check the antiviral capacity of W. somnifera trimmings against COVID-19 by strategies for computational methods. The middle explanation of this assessment is to limit or cripple the coordinated efforts between the receptor and (Khanal et al, 2020) RBD by using Phytocompounds that could square or hamper viral section into the host cells. All the bioactive were foreseen as the counter mainstream against Rhinovirus, six (Withanolide -D, M, N, O, P and Q) for in luenza, four (Withanolide -D, O, N, Q,) and Withanolide Q against Hepatitis and HIV.…”

“…All the bioactive were foreseen as the counter mainstream against Rhinovirus, six (Withanolide -D, M, N, O, P and Q) for in luenza, four (Withanolide -D, O, N, Q,) and Withanolide Q against Hepatitis and HIV. Also, three bioactive (Withanolide -N, O and Q,) were foreseen as undenied unfriendly to viral administrators (Khanal et al, 2020).…”

Screening of JAK-STAT modulators from the antiviral plants of Indian traditional system of medicine with the potential to inhibit 2019 novel coronavirus using network pharmacology

“…World Health Organization declared COVID-19 as “Pandemic” and has suggested preventive approaches like social isolation and intensive care of patients (WHO 2020 ). Recent in-silico and network pharmacology studies have reported repurposing of existing drugs and the alleged role of natural lead in the treatment of COVID-19 (Sinha et al 2020a , b ; Chikhale et al 2020a , b , c ; Patil et al 2020 ; Khanal et al 2020a , b , 2021a , b ). The earlier reports indicated the Janus kinase/signal transducer and activator of transcription (JAK-STAT) pathway's deregulation during host invasion of coronavirus by affecting the type I IFNs synthesis (Luo et al 2020 ).…”