scholarly journals A Review of Medicinal Plants with Antiviral Activity Available in Bangladesh and Mechanistic Insight Into Their Bioactive Metabolites on SARS-CoV-2, HIV and HBV

2021 ◽  
Vol 12 ◽  
Author(s):  
Sitesh C. Bachar ◽  
Kishor Mazumder ◽  
Ritesh Bachar ◽  
Asma Aktar ◽  
Mamun Al Mahtab
Keyword(s):  
Medicinal Plants ◽  
Antiviral Activity ◽  
Oleanolic Acid ◽  
Bioactive Compounds ◽  
In Silico ◽  
Hepatitis Virus ◽  
Antiviral Drug ◽  
Antiviral Drugs ◽  
Bioactive Metabolites ◽  
Antiviral Activities

Currently, viral infection is the most serious health issue which causing unexpected higher rate of death globally. Many viruses are not yet curable, such as corona virus-2 (SARS-CoV-2), human immunodeficiency virus (HIV), hepatitis virus, human papilloma virus and so others. Furthermore, the toxicities and ineffective responses to resistant strains of synthetic antiviral drugs have reinforced the search of effective and alternative treatment options, such as plant-derived antiviral drug molecules. Therefore, in the present review, an attempt has been taken to summarize the medicinal plants reported for exhibiting antiviral activities available in Bangladesh along with discussing the mechanistic insights into their bioactive components against three most hazardous viruses, namely SARS-CoV-2, HIV, and HBV. The review covers 46 medicinal plants with antiviral activity from 25 families. Among the reported 79 bioactive compounds having antiviral activities isolated from these plants, about 37 of them have been reported for significant activities against varieties of viruses. Hesperidin, apigenin, luteolin, seselin, 6-gingerol, humulene epoxide, quercetin, kaempferol, curcumin, and epigallocatechin-3-gallate (EGCG) have been reported to inhibit multiple molecular targets of SARS-CoV-2 viral replication in a number of in silico investigations. Besides, numerous in silico, in vitro, and in vivo bioassays have been demonstrated that EGCG, anolignan-A, and B, ajoene, curcumin, and oleanolic acid exhibit anti-HIV activity while piperine, ursolic acid, oleanolic acid, (+)-cycloolivil-4′-O-β-d-glucopyranoside, quercetin, EGCG, kaempferol, aloin, apigenin, rosmarinic acid, andrographolide, and hesperidin possess anti-HBV activity. Thus, the antiviral medicinal plants and the isolated bioactive compounds may be considered for further advanced investigations with the aim of the development of effective and affordable antiviral drugs.

scholarly journals ENNAVIA is an innovative new method which employs neural networks for antiviral and anti-coronavirus activity prediction for therapeutic peptides

2021 ◽  
Author(s):  
Patrick Brendan Timmons ◽  
Chandralal M. Hewage
Keyword(s):  
In Silico ◽  
Antiviral Drug ◽  
Area Under The Curve ◽  
Antiviral Drugs ◽  
Test Accuracy ◽  
Sequencing Data ◽  
Drug Candidates ◽  
Therapeutic Peptides ◽  
Antiviral Activities ◽  
External Test

AbstractViruses represent one of the greatest threats to human health, necessitating the development of new antiviral drug candidates. Antiviral peptides often possess excellent biological activity and a favourable toxicity profile, and therefore represent a promising field of novel antiviral drugs. As the quantity of sequencing data grows annually, the development of an accurate in silico method for the prediction of peptide antiviral activities is important. This study leverages advances in deep learning and cheminformatics to produce a novel sequence-based deep neural network classifier for the prediction of antiviral peptide activity. The method out-performs the existent best-in-class, with an external test accuracy of 93.9%, Matthews correlation coefficient of 0.87 and an Area Under the Curve of 0.93 on the dataset of experimentally validated peptide activities. This cutting-edge classifier is available as an online web server at https://research.timmons.eu/ennavia, facilitating in silico screening and design of peptide antiviral drugs by the wider research community.

scholarly journals In Silico Approach of Potential Phytochemical Inhibitor from Moringa oleifera, Cocos nucifera, Allium cepa, Psidium guajava, and Eucalyptus globulus for the treatment of COVID-19 by Molecular Docking

2020 ◽  
Author(s):  
Ika Nur Fitriani ◽  
Wiji Utami ◽  
Adi Tiara Zikri ◽  
Pugoh Santoso
Keyword(s):  
Molecular Docking ◽  
Medicinal Plants ◽  
Oleanolic Acid ◽  
Allium Cepa ◽  
Bioactive Compounds ◽  
In Silico ◽  
Eucalyptus Globulus ◽  
Moringa Oleifera ◽  
Cocos Nucifera ◽  
Psidium Guajava

Abstract Background Coronavirus disease 2019 (COVID-19) is caused by infection with severe acute respiratory syndrome coronavirus 2. COVID-19 has devastating effects on people in all countries and getting worse. We aim to investigate an in-silico docking analysis of phytochemical compounds from medicinal plants that used to combat inhibition of the COVID-19 pathway. There are several phytochemicals in medicinal plants, however, the mechanism of bioactive compounds remains unclear. These results are obtained from in silico research provide further information to support the inhibition of several phytochemicals. Methods Molecular docking used to determine the best potential COVID-19 M pro inhibitor from several bioactive compounds in Moringa oleifera, Allium cepa, Cocos nucifera, Psidium guajava, and Eucalyptus globulus. Molecular docking was conducted and scored by comparison with standard drugs remdesivir. ADME properties of selected ligands were evaluated using the Lipinski Rule. The interaction mechanism of the most recommended compound predicted using the STITCH database. Results There was no recommended compound in Moringa oleifera as a potential inhibitor for COVID-19. Oleanolic acid in Allium cepa, α-tocotrienol in Cocos nucifera, asiatic acid in Psidium guajava and culinoside in Eucalyptus globulus were the most recommended compound in each medicinal plant. Oleanolic acid was reported to exhibit anti-COVID-19 activity with binding energy was − 9.20 kcal/mol. This score was better than remdesivir as standard drug. Oleanolic acid interacted through the hydrogen bond with HIS41, THR25, CYS44, GLU166. Oleanolic acid binding with CASP-3, CASP-9, and XIAP signaling pathway. Conclusions Oleanolic acid in Allium cepa found as a potential inhibitor of COVID-19 M-pro that should be examined in future studies. These results suggest that oleanolic acid may be useful in COVID-19 treatment.

In silico screening of phytoconstituents with antiviral activities against SARS-COV-2 main protease, Nsp12 polymerase and Nsp13 helicase proteins

2021 ◽  
Vol 18 ◽  
Author(s):  
Jainey James ◽  
Divya Jyothi ◽  
Sneh Priya
Keyword(s):  
Antiviral Activity ◽  
Molecular Interactions ◽  
In Silico ◽  
Antiviral Treatment ◽  
In Vivo Studies ◽  
Main Protease ◽  
Hypothesis Model ◽  
Antiviral Activities ◽  
Pharmacophore Hypothesis

Aims: The present study aim was to analyse the molecular interactions of the phytoconstituents known for their antiviral activity with the SARS-CoV-2 nonstructural proteins such as main protease (6LU7), Nsp12 polymerase (6M71), and Nsp13 helicase (6JYT). The applied in silico methodologies was molecular docking and pharmacophore modeling using Schrodinger software. Methods: The phytoconstituents were taken from PubChem, and SARS-CoV-2 proteins were downloaded from the protein data bank. The molecular interactions, binding energy, ADMET properties and pharmacophoric features were analysed by glide XP, prime MM-GBSA, qikprop and phase application of Schrodinger respectively. The antiviral activity of the selected phytoconstituents was carried out by PASS predictor, online tools. Results: The docking score analysis showed that quercetin 3-rhamnoside (-8.77 kcal/mol) and quercetin 3-rhamnoside (-7.89 kcal/mol) as excellent products to bind with their respective targets such as 6LU7, 6M71 and 6JYT. The generated pharmacophore hypothesis model validated the docking results, confirming the hydrogen bonding interactions of the amino acids. The PASS online tool predicted constituent's antiviral potentials. Conclusion: The docked phytoconstituents showed excellent interactions with the SARS-CoV-2 proteins, and on the outset, quercetin 3-rhamnoside and quercetin 7-rhamnoside have well-interacted with all the three proteins, and these belong to the plant Houttuynia cordata. The pharmacophore hypothesis has revealed the characteristic features responsible for their interactions, and PASS prediction data has supported their antiviral activities. Thus, these natural compounds could be developed as lead molecules for antiviral treatment against SARS-CoV-2. Further in-vitro and in-vivo studies could be carried out to provide better drug therapy.

scholarly journals Elucidation on the Physicochemical Properties of Potential and Clinically Approved Antiviral Drugs: A Search for Effective Therapies against SARS-CoV-2 Infection

2020 ◽  
Vol 14 (suppl 1) ◽  
pp. 1025-1034
Author(s):  
Derick Erl P. Sumalapao
Keyword(s):  
Antiviral Activity ◽  
Physicochemical Properties ◽  
Vaccine Development ◽  
Heavy Atom ◽  
Antiviral Drug ◽  
Principal Component ◽  
Antiviral Drugs ◽  
Medical Emergency ◽  
Drug Candidates ◽  
Additional Information

COVID-19 has been confirmed in millions of individuals worldwide, rendering it a global medical emergency. In the absence of vaccines and the unavailability of effective drugs for the SARS-CoV-2 infection, vaccine development is being continuously explored and several antiviral compounds and immunotherapies are currently being investigated. Given the high similarity in genetic identity between SARS-CoV and SARS-CoV-2, the present investigation identified the interaction between the physicochemical properties and the antiviral activity of different potential and clinically approved antiviral drugs against SARS-CoV using hierarchically weighted principal component analysis. Representative drugs from the classes of neuraminidase inhibitors, reverse transcriptase inhibitors, protease inhibitors, nucleoside analogues, and other compounds with potential antiviral activity were examined. The pharmacologic classification and the biological activity of the different antiviral drugs were described using indices, namely, rotatable bond count, molecular weight, heavy atom count, and molecular complexity (92.32% contribution rate). The physicochemical properties and inhibitory action against SARS-CoV-2 of lopinavir, chloroquine, ivermectin, and ciclesonide validated the adequacy of the current computational approach. The findings of the present study provide additional information, although further investigation is warranted to identify potential targets and establish exact mechanisms, in the emergent search and design of antiviral drug candidates and their subsequent synthesis as effective therapies for COVID-19.

Phytotherapic Drugs For Covid19 Treatment: A Scoping Review

2021 ◽  
Vol 27 ◽  
Author(s):  
Meenakshi Singh ◽  
Darshini Trivedi ◽  
Reecha Mohapatra ◽  
Trisha Bagchi ◽  
Chandra Sai Potla Durthi ◽  
...  
Keyword(s):  
Clinical Trials ◽  
Side Effects ◽  
Antiviral Activity ◽  
Human Health ◽  
Bioactive Compounds ◽  
Well Being ◽  
Bioactive Metabolites ◽  
Herbal Extracts ◽  
Plant Metabolites ◽  
Health Crisis

Background: The rapid eruption of Coronavirus at the end of 2019 has caused global health crisis and significant loss to the economy and social well-being. This created a massive shortage of advanced health facilities with inadequate medicinal supply, further deteriorating human health conditions. On the basis of adverse effects of the ongoing pandemic, this review is proposed to evaluate the antiviral efficacy of plant-based therapeutics against SARS-CoV-2 (commonly called COVID19) infection. It highlights the possible action of the mechanism of phytotherapeutic drugs against coronavirus inhibition, further validated by clinical trials on herbal formulas. Though the experimental studies on COVID19 treatment are limited, the undesirable side effects of herbal drugs and unidentified compounds cannot be ignored. Objective: We have made an effort to study the prospective plant-derived bioactive entities and their effectiveness in the treatment of COVID19 and emphasize safety and regulatory concerns of phytomedicines. Methods: The methodology involves the relevant studies on COVID19 treatment based on herbal extracts and the purified bioactive metabolites. The e-literature survey is done by downloading research articles available on PubMed (National library of medicine), Elsevier, and Google scholar search engines. The keywords used are plant metabolites, natural bioactive, phytotherapeutic drugs, clinical trials, SARS-CoV-2, Coronavirus inhibitors and herbal extracts. Results: The review pays particular attention to the etiological study of the COVID19 virus and its inhibition using medicinal plant metabolites as immunomodulatory agents. The application of valuable bioactive like phenolic compounds, saponins, alkaloids, tannins, flavonoids and terpenoids in preparing herbal formula/drug. The drug resistance of bioactive compounds and their side effects on human health were discussed for effective phytomedicine. Thus, emphasizing the perspectives of phytotherapeutic drugs as a safe remedy to boost immunomodulatory functions and antiviral activity against COVID19. Conclusion: Altogether, the review presents the action mechanism of plant extracts rich in bioactive compounds and depicted potential antiviral activity against SARS-CoV-2. These plant bioactive compounds can serve as lead molecules to develop phytomedicine, ensuring all safety regulations in the clinical trials to treat or prevent COVID19 viral infections.

scholarly journals Plants-Derived Biomolecules as Potent Antiviral Phytomedicines: New Insights on Ethnobotanical Evidences against Coronaviruses

Plants ◽  
2020 ◽  
Vol 9 (9) ◽  
pp. 1244 ◽  
Author(s):  
Arif Jamal Siddiqui ◽  
Corina Danciu ◽  
Syed Amir Ashraf ◽  
Afrasim Moin ◽  
Ritu Singh ◽  
...  
Keyword(s):  
Medicinal Plants ◽  
Social Life ◽  
Bioactive Molecules ◽  
Bioactive Metabolites ◽  
Protein Targets ◽  
Therapeutic Drugs ◽  
Antiviral Compounds ◽  
Other Information ◽  
Antiviral Activities ◽  
Therapeutic Protocols

SARS-CoV-2 infection (COVID-19) is in focus over all known human diseases, because it is destroying the world economy and social life, with increased mortality rate each day. To date, there is no specific medicine or vaccine available against this pandemic disease. However, the presence of medicinal plants and their bioactive molecules with antiviral properties might also be a successful strategy in order to develop therapeutic agents against SARS-CoV-2 infection. Thus, this review will summarize the available literature and other information/data sources related to antiviral medicinal plants, with possible ethnobotanical evidence in correlation with coronaviruses. The identification of novel antiviral compounds is of critical significance, and medicinal plant based natural compounds are a good source for such discoveries. In depth search and analysis revealed several medicinal plants with excellent efficacy against SARS-CoV-1 and MERS-CoV, which are well-known to act on ACE-2 receptor, 3CLpro and other viral protein targets. In this review, we have consolidated the data of several medicinal plants and their natural bioactive metabolites, which have promising antiviral activities against coronaviruses with detailed modes of action/mechanism. It is concluded that this review will be useful for researchers worldwide and highly recommended for the development of naturally safe and effective therapeutic drugs/agents against SARS-CoV-2 infection, which might be used in therapeutic protocols alone or in combination with chemically synthetized drugs.

scholarly journals Antiviral activities and applications of ribosomally synthesized and post-translationally modified peptides (RiPPs)

2021 ◽  
Author(s):  
Yuxin Fu ◽  
Ate H. Jaarsma ◽  
Oscar P. Kuipers
Keyword(s):  
Antiviral Therapy ◽  
Antiviral Drug ◽  
Viral Disease ◽  
Antimicrobial Activities ◽  
Antiviral Drugs ◽  
Global Public Health ◽  
Enveloped Viruses ◽  
Small Molecule Drugs ◽  
Modified Peptides ◽  
Antiviral Activities

AbstractThe emergence and re-emergence of viral epidemics and the risks of antiviral drug resistance are a serious threat to global public health. New options to supplement or replace currently used drugs for antiviral therapy are urgently needed. The research in the field of ribosomally synthesized and post-translationally modified peptides (RiPPs) has been booming in the last few decades, in particular in view of their strong antimicrobial activities and high stability. The RiPPs with antiviral activity, especially those against enveloped viruses, are now also gaining more interest. RiPPs have a number of advantages over small molecule drugs in terms of specificity and affinity for targets, and over protein-based drugs in terms of cellular penetrability, stability and size. Moreover, the great engineering potential of RiPPs provides an efficient way to optimize them as potent antiviral drugs candidates. These intrinsic advantages underscore the good therapeutic prospects of RiPPs in viral treatment. With the aim to highlight the underrated antiviral potential of RiPPs and explore their development as antiviral drugs, we review the current literature describing the antiviral activities and mechanisms of action of RiPPs, discussing the ongoing efforts to improve their antiviral potential and demonstrate their suitability as antiviral therapeutics. We propose that antiviral RiPPs may overcome the limits of peptide-based antiviral therapy, providing an innovative option for the treatment of viral disease.

scholarly journals Potential Phytochemical Inhibitor from Allium cepa for the Medication of COVID-19 using In-Silico Approach

2021 ◽  
Vol 4 (2) ◽  
pp. 80-87
Author(s):  
Ika Nur Fitriani ◽  
Wiji Utami
Keyword(s):  
Medicinal Plants ◽  
Oleanolic Acid ◽  
Allium Cepa ◽  
In Silico ◽  
Interaction Network ◽  
Standard Drug ◽  
Docking Score ◽  
Future Studies ◽  
Network Process ◽  
Pathway Inhibition

Infection of extreme acute respiratory syndrome coronavirus 2 triggers Coronavirus disease 2019 (COVID-19). COVID-19 has adverse consequences on persons and is getting worse in all nations. The aim of this research is to investigate the development of in-silico approach of phytochemical inhibitor used to fight COVID-19 pathway inhibition. In medicinal plants, there are many phytochemicals, however the bioactive mechanism remains uncertain.  In-silico experiments offer additional evidence to confirm the inhibition of medicinal plants. Molecular docking was used to evaluate phytoconstituents from Allium cepa as COVID-19 M-pro inhibitor, compared to remdesivir (standard drug). STITCH database used to predict the interaction network process of the most potential compound. The most potential compound was oleanolic acid. Oleanolic acid with a docking score of -9.20 kcal/mol was reported as anti-COVID-19 activity. This docking score was higher than remdesivir. Oleanolic acid interacted with GLU166, CYS44, HIS41, and THR25 via the hydrogen bond. From STITCH Database, oleanolic acid interact with CASP-9, XIAP, CASP-3 signalling pathway. Oleanolic acid from Allium cepa has been reported as a possible COVID-19 M-pro inhibitor and should be studied in future studies. The experiment indicates that phytochemical inhibitor can be helpful in the medication of COVID-19.

scholarly journals Ribavirin shows antiviral activity against SARS-CoV-2 and downregulates the activity of TMPRSS2 and the expression of ACE2 in vitro

2021 ◽  
pp. 1-12 ◽  
Author(s):  
Mehmet Altay Unal ◽  
Ceylan Verda Bitirim ◽  
Gokce Yagmur Summak ◽  
Sidar Bereketoglu ◽  
Inci Cevher Zeytin ◽  
...  
Keyword(s):  
Antiviral Activity ◽  
Broad Spectrum ◽  
In Silico ◽  
Antiviral Drug ◽  
In Silico Analysis ◽  
Cell Types ◽  
Suppressive Effect ◽  
Inhibitory Effect ◽  
Molecular Techniques

Ribavirin is a guanosine analog with broad-spectrum antiviral activity against RNA viruses. Based on this, we aimed to show the anti-SARS-CoV-2 activity of this drug molecule via in vitro, in silico, and molecular techniques. Ribavirin showed antiviral activity in Vero E6 cells following SARS-CoV-2 infection, whereas the drug itself did not show any toxic effect over the concentration range tested. In silico analysis suggested that ribavirin has a broad-spectrum impact on SARS-CoV-2, acting at different viral proteins. According to the detailed molecular techniques, ribavirin was shown to decrease the expression of TMPRSS2 at both mRNA and protein levels 48 h after treatment. The suppressive effect of ribavirin in ACE2 protein expression was shown to be dependent on cell types. Finally, proteolytic activity assays showed that ribavirin also showed an inhibitory effect on the TMPRSS2 enzyme. Based on these results, we hypothesized that ribavirin may inhibit the expression of TMPRSS2 by modulating the formation of inhibitory G-quadruplex structures at the TMPRSS2 promoter. As a conclusion, ribavirin is a potential antiviral drug for the treatment against SARS-CoV-2, and it interferes with the effects of TMPRSS2 and ACE2 expression.

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