A review on potential of natural products in the management of COVID-19

Chakravarti, Rudra; Singh, Rajveer; Ghosh, Arijit; Dey, Dhritiman; Sharma, Priyanka; Ravichandiran, V.; Roy, Syamal; Ghosh, Dipanjan

doi:10.1039/d1ra00644d

Cited by 75 publications

(46 citation statements)

References 144 publications

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“…Several molecules have been reported to bind to active site of these three SARS-CoV-2 proteins with high binding affinity [41][42][43][44][45][46][47][48]. In silico studies have shown that various natural products have strong binding affinity to the non-structural proteins of SARS-CoV-2 virus (PLpro, Mpro and RdRp), and structural proteins such as spike (S) protein [43,49]. In fact, Teli and colleagues [45] described 60 plant-based natural compounds to combat COVID-19 virus interacting with SARS-CoV-2 (3C-like protease; PDB ID: 6LU7) and the high docking scores was about (−12.86 kcal/mol) for procyanidin A3, acetoside (−11.974 kcal/mol), rutin (−11.187 kcal/mol) and solanine (10.301 kcal/mol).…”

Section: Target Predictionmentioning

confidence: 99%

Tomatidine and Patchouli Alcohol as Inhibitors of SARS-CoV-2 Enzymes (3CLpro, PLpro and NSP15) by Molecular Docking and Molecular Dynamics Simulations

Zrieq

Ahmad

Snoussi

et al. 2021

IJMS

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Considering the current dramatic and fatal situation due to the high spreading of SARS-CoV-2 infection, there is an urgent unmet medical need to identify novel and effective approaches for prevention and treatment of Coronavirus disease (COVID 19) by re-evaluating and repurposing of known drugs. For this, tomatidine and patchouli alcohol have been selected as potential drugs for combating the virus. The hit compounds were subsequently docked into the active site and molecular docking analyses revealed that both drugs can bind the active site of SARS-CoV-2 3CLpro, PLpro, NSP15, COX-2 and PLA2 targets with a number of important binding interactions. To further validate the interactions of promising compound tomatidine, Molecular dynamics study of 100 ns was carried out towards 3CLpro, NSP15 and COX-2. This indicated that the protein-ligand complex was stable throughout the simulation period, and minimal backbone fluctuations have ensued in the system. Post dynamic MM-GBSA analysis of molecular dynamics data showed promising mean binding free energy 47.4633 ± 9.28, 51.8064 ± 8.91 and 54.8918 ± 7.55 kcal/mol, respectively. Likewise, in silico ADMET studies of the selected ligands showed excellent pharmacokinetic properties with good absorption, bioavailability and devoid of toxicity. Therefore, patchouli alcohol and especially, tomatidine may provide prospect treatment options against SARS-CoV-2 infection by potentially inhibiting virus duplication though more research is guaranteed and secured.

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Section: Target Predictionmentioning

confidence: 99%

Tomatidine and Patchouli Alcohol as Inhibitors of SARS-CoV-2 Enzymes (3CLpro, PLpro and NSP15) by Molecular Docking and Molecular Dynamics Simulations

Zrieq

Ahmad

Snoussi

et al. 2021

IJMS

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“…Nonetheless, the expensive healthcare expenditure, lack of availability, unprecedented drug side effects, and ethical considerations regarding convalescent plasma therapy (CPT) make them difficult to execute globally. Furthermore, the problem can be made worse if the virus evolves into drug-resistant mutants, rendering antiviral medications worthless because most of them target specific viral proteins [ 117 ]. As a result, we can search for new therapies using natural products.…”

Section: Therapeutic Approach Against Covid-19mentioning

confidence: 99%

Natural Bioactive Molecules: An Alternative Approach to the Treatment and Control of COVID-19

Islam

Bibi

Meem

et al. 2021

IJMS

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Several coronaviruses (CoVs) have been associated with serious health hazards in recent decades, resulting in the deaths of thousands around the globe. The recent coronavirus pandemic has emphasized the importance of discovering novel and effective antiviral medicines as quickly as possible to prevent more loss of human lives. Positive-sense RNA viruses with group spikes protruding from their surfaces and an abnormally large RNA genome enclose CoVs. CoVs have already been related to a range of respiratory infectious diseases possibly fatal to humans, such as MERS, SARS, and the current COVID-19 outbreak. As a result, effective prevention, treatment, and medications against human coronavirus (HCoV) is urgently needed. In recent years, many natural substances have been discovered with a variety of biological significance, including antiviral properties. Throughout this work, we reviewed a wide range of natural substances that interrupt the life cycles for MERS and SARS, as well as their potential application in the treatment of COVID-19.

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“…Those compounds have a high efficiency and a low toxicity. Herbal medicine is undeniably a valuable resource for therapeutic development, and its low toxicity makes it a viable prophylactic candidate against COVID-19 [17,18]. The antiviral action mechanisms of these natural agents on the influence of the viral life cycle, such as viral entrance, replication, assembly, and release, as well as virus-host-specific interactions, have been studied intensively over the last few decades [19].…”

Section: Introductionmentioning

confidence: 99%

Coronavirus Infection-Associated Cell Death Signaling and Potential Therapeutic Targets

2021

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COVID-19 is the name of the disease caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection that occurred in 2019. The virus–host-specific interactions, molecular targets on host cell deaths, and the involved signaling are crucial issues, which become potential targets for treatment. Spike protein, angiotensin-converting enzyme 2 (ACE2), cathepsin L-cysteine peptidase, transmembrane protease serine 2 (TMPRSS2), nonstructural protein 1 (Nsp1), open reading frame 7a (ORF7a), viral main protease (3C-like protease (3CLpro) or Mpro), RNA dependent RNA polymerase (RdRp) (Nsp12), non-structural protein 13 (Nsp13) helicase, and papain-like proteinase (PLpro) are molecules associated with SARS-CoV infection and propagation. SARS-CoV-2 can induce host cell death via five kinds of regulated cell death, i.e., apoptosis, necroptosis, pyroptosis, autophagy, and PANoptosis. The mechanisms of these cell deaths are well established and can be disrupted by synthetic small molecules or natural products. There are a variety of compounds proven to play roles in the cell death inhibition, such as pan-caspase inhibitor (z-VAD-fmk) for apoptosis, necrostatin-1 for necroptosis, MCC950, a potent and specific inhibitor of the NLRP3 inflammasome in pyroptosis, and chloroquine/hydroxychloroquine, which can mitigate the corresponding cell death pathways. However, NF-κB signaling is another critical anti-apoptotic or survival route mediated by SARS-CoV-2. Such signaling promotes viral survival, proliferation, and inflammation by inducing the expression of apoptosis inhibitors such as Bcl-2 and XIAP, as well as cytokines, e.g., TNF. As a result, tiny natural compounds functioning as proteasome inhibitors such as celastrol and curcumin can be used to modify NF-κB signaling, providing a responsible method for treating SARS-CoV-2-infected patients. The natural constituents that aid in inhibiting viral infection, progression, and amplification of coronaviruses are also emphasized, which are in the groups of alkaloids, flavonoids, terpenoids, diarylheptanoids, and anthraquinones. Natural constituents derived from medicinal herbs have anti-inflammatory and antiviral properties, as well as inhibitory effects, on the viral life cycle, including viral entry, replication, assembly, and release of COVID-19 virions. The phytochemicals contain a high potential for COVID-19 treatment. As a result, SARS-CoV-2-infected cell death processes and signaling might be of high efficacy for therapeutic targeting effects and yielding encouraging outcomes.

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A review on potential of natural products in the management of COVID-19

Abstract: In this review promising targets for drug development against SARS-CoV-2 and anti-viral activities of some of the known natural products (including plant secondary metabolites) are discussed.

Cited by 75 publications

References 144 publications

Tomatidine and Patchouli Alcohol as Inhibitors of SARS-CoV-2 Enzymes (3CLpro, PLpro and NSP15) by Molecular Docking and Molecular Dynamics Simulations

Tomatidine and Patchouli Alcohol as Inhibitors of SARS-CoV-2 Enzymes (3CLpro, PLpro and NSP15) by Molecular Docking and Molecular Dynamics Simulations

Natural Bioactive Molecules: An Alternative Approach to the Treatment and Control of COVID-19

Coronavirus Infection-Associated Cell Death Signaling and Potential Therapeutic Targets

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