Ayurveda botanicals in COVID-19 management: An in silico multi-target approach
The Coronavirus disease (COVID-19) caused by the virus SARS-CoV-2 has become a global pandemic in a very short time span. Currently, there is no specific treatment or vaccine to counter this highly contagious disease. There is an urgent need to find a specific cure for the disease and global efforts...
Gespeichert in:
| Veröffentlicht in: | PloS one 2021-06, Vol.16 (6), p.e0248479 |
|---|---|
| Hauptverfasser: | , , , , , , , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | |
|---|---|
| container_issue | 6 |
| container_start_page | e0248479 |
| container_title | PloS one |
| container_volume | 16 |
| creator | Borse, Swapnil Joshi, Manali Saggam, Akash Bhat, Vedika Walia, Safal Marathe, Aniket Sagar, Sneha Chavan-Gautam, Preeti Girme, Aboli Hingorani, Lal Tillu, Girish |
| description | The Coronavirus disease (COVID-19) caused by the virus SARS-CoV-2 has become a global pandemic in a very short time span. Currently, there is no specific treatment or vaccine to counter this highly contagious disease. There is an urgent need to find a specific cure for the disease and global efforts are directed at developing SARS-CoV-2 specific antivirals and immunomodulators. Ayurvedic Rasayana therapy has been traditionally used in India for its immunomodulatory and adaptogenic effects, and more recently has been included as therapeutic adjuvant for several maladies. Amongst several others, Withania somnifera (Ashwagandha), Tinospora cordifolia (Guduchi) and Asparagus racemosus (Shatavari) play an important role in Rasayana therapy. The objective of this study was to explore the immunomodulatory and anti SARS-CoV2 potential of phytoconstituents from Ashwagandha, Guduchi and Shatavari using network pharmacology and docking. The plant extracts were prepared as per ayurvedic procedures and a total of 31 phytoconstituents were identified using UHPLC-PDA and mass spectrometry studies. To assess the immunomodulatory potential of these phytoconstituents an in-silico network pharmacology model was constructed. The model predicts that the phytoconstituents possess the potential to modulate several targets in immune pathways potentially providing a protective role. To explore if these phytoconstituents also possess antiviral activity, docking was performed with the Spike protein, Main Protease and RNA dependent RNA polymerase of the virus. Interestingly, several phytoconstituents are predicted to possess good affinity for the three targets, suggesting their application for the termination of viral life cycle. Further, predictive tools indicate that there would not be adverse herb-drug pharmacokinetic-pharmacodynamic interactions with concomitantly administered drug therapy. We thus make a compelling case to evaluate the potential of these Rasayana botanicals as therapeutic adjuvants in the management of COVID-19 following rigorous experimental validation. |
| doi_str_mv | 10.1371/journal.pone.0248479 |
| format | Article |
| fullrecord | <record><control><sourceid>gale_plos_</sourceid><recordid>TN_cdi_plos_journals_2540099652</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><galeid>A664890997</galeid><doaj_id>oai_doaj_org_article_96d06de9286c4f6c8be1b5ef8bb6e58a</doaj_id><sourcerecordid>A664890997</sourcerecordid><originalsourceid>FETCH-LOGICAL-c669t-d31644f02e2d55b4028d9041ddfe7a6455874f40843ec2bedba7751b789fe2723</originalsourceid><addsrcrecordid>eNqNkl2L1DAUhoso7rr6DwQLguBFx6RN0sQLYRi_BhYH_NjbkCannSxtMybp4v57M06VLShILhLOec6bw3tOlj3FaIWrGr-6dpMfVb86uBFWqCSc1OJedo5FVRasRNX9O--z7FEI1wjRijP2MDurCMa0ZtV59ml9O_kbMCpvXFSj1aoPuR3zze5q-7bAIh_UqDoYYIyv8_V4TAXbW-3yYeqjLaLyHcRcHQ7eKb1_nD1okwI8me-L7Nv7d183H4vL3YftZn1ZaMZELEyFGSEtKqE0lDYEldwIRLAxLdSKEUp5TVqCOKlAlw2YRtU1xU3NRQtlXVYX2bOT7qF3Qc5WBFlSgpAQjB6J7YkwTl3Lg7eD8rfSKSt_BZzvpPLR6h6kYAYxA6LkTJOWad4Abii0vGkYUK6S1pv5t6kZwOhkhlf9QnSZGe1edu5GcixomlUSeD4LePd9ghD_0fJMdSp1ZcfWJTE92KDlmjHCReLqRK3-QqVjYEhzGaG1Kb4oeLkoSEyEH7FTUwhy--Xz_7O7qyX74g67B9XHfXD9FK0bwxIkJ1B7F4KH9o9zGMnjLv92Qx53Wc67XP0EoNvkEQ</addsrcrecordid><sourcetype>Open Website</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2540099652</pqid></control><display><type>article</type><title>Ayurveda botanicals in COVID-19 management: An in silico multi-target approach</title><source>DOAJ Directory of Open Access Journals</source><source>Elektronische Zeitschriftenbibliothek - Frei zugängliche E-Journals</source><source>PubMed Central</source><source>Free Full-Text Journals in Chemistry</source><source>Public Library of Science (PLoS)</source><creator>Borse, Swapnil ; Joshi, Manali ; Saggam, Akash ; Bhat, Vedika ; Walia, Safal ; Marathe, Aniket ; Sagar, Sneha ; Chavan-Gautam, Preeti ; Girme, Aboli ; Hingorani, Lal ; Tillu, Girish</creator><creatorcontrib>Borse, Swapnil ; Joshi, Manali ; Saggam, Akash ; Bhat, Vedika ; Walia, Safal ; Marathe, Aniket ; Sagar, Sneha ; Chavan-Gautam, Preeti ; Girme, Aboli ; Hingorani, Lal ; Tillu, Girish</creatorcontrib><description>The Coronavirus disease (COVID-19) caused by the virus SARS-CoV-2 has become a global pandemic in a very short time span. Currently, there is no specific treatment or vaccine to counter this highly contagious disease. There is an urgent need to find a specific cure for the disease and global efforts are directed at developing SARS-CoV-2 specific antivirals and immunomodulators. Ayurvedic Rasayana therapy has been traditionally used in India for its immunomodulatory and adaptogenic effects, and more recently has been included as therapeutic adjuvant for several maladies. Amongst several others, Withania somnifera (Ashwagandha), Tinospora cordifolia (Guduchi) and Asparagus racemosus (Shatavari) play an important role in Rasayana therapy. The objective of this study was to explore the immunomodulatory and anti SARS-CoV2 potential of phytoconstituents from Ashwagandha, Guduchi and Shatavari using network pharmacology and docking. The plant extracts were prepared as per ayurvedic procedures and a total of 31 phytoconstituents were identified using UHPLC-PDA and mass spectrometry studies. To assess the immunomodulatory potential of these phytoconstituents an in-silico network pharmacology model was constructed. The model predicts that the phytoconstituents possess the potential to modulate several targets in immune pathways potentially providing a protective role. To explore if these phytoconstituents also possess antiviral activity, docking was performed with the Spike protein, Main Protease and RNA dependent RNA polymerase of the virus. Interestingly, several phytoconstituents are predicted to possess good affinity for the three targets, suggesting their application for the termination of viral life cycle. Further, predictive tools indicate that there would not be adverse herb-drug pharmacokinetic-pharmacodynamic interactions with concomitantly administered drug therapy. We thus make a compelling case to evaluate the potential of these Rasayana botanicals as therapeutic adjuvants in the management of COVID-19 following rigorous experimental validation.</description><identifier>ISSN: 1932-6203</identifier><identifier>EISSN: 1932-6203</identifier><identifier>DOI: 10.1371/journal.pone.0248479</identifier><identifier>PMID: 34115763</identifier><language>eng</language><publisher>San Francisco: Public Library of Science</publisher><subject>Antihypertensives ; Antiviral agents ; Asthma ; Ayurvedic medicine ; Bioinformatics ; Biology and life sciences ; Coronaviruses ; COVID-19 ; Data analysis ; Diabetes ; Diabetes mellitus ; Disease ; Drug therapy ; Drugs ; Editing ; Enzymes ; Funding ; Health aspects ; Health sciences ; Hypertension ; Immune system ; Immunomodulation ; Immunosuppressive agents ; Interdisciplinary aspects ; Medicine and Health Sciences ; Medicine, Ayurvedic ; Methodology ; Pandemics ; Pharmaceutical industry ; Pharmacology, Experimental ; Physical Sciences ; Phytochemicals ; Plant products ; RNA polymerase ; Severe acute respiratory syndrome ; Severe acute respiratory syndrome coronavirus 2 ; Therapeutic targets ; Vegetables ; Viral diseases ; Viral infections ; Viruses ; Visualization</subject><ispartof>PloS one, 2021-06, Vol.16 (6), p.e0248479</ispartof><rights>COPYRIGHT 2021 Public Library of Science</rights><rights>2021 Borse et al. This is an open access article distributed under the terms of the Creative Commons Attribution License: http://creativecommons.org/licenses/by/4.0/ (the “License”), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><rights>2021 Borse et al 2021 Borse et al</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c669t-d31644f02e2d55b4028d9041ddfe7a6455874f40843ec2bedba7751b789fe2723</citedby><cites>FETCH-LOGICAL-c669t-d31644f02e2d55b4028d9041ddfe7a6455874f40843ec2bedba7751b789fe2723</cites><orcidid>0000-0002-8967-3492 ; 0000-0001-8514-3171 ; 0000-0002-1536-1656 ; 0000-0003-1845-9226 ; 0000-0003-0371-0633</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC8195371/pdf/$$EPDF$$P50$$Gpubmedcentral$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC8195371/$$EHTML$$P50$$Gpubmedcentral$$Hfree_for_read</linktohtml><link.rule.ids>230,314,723,776,780,860,881,2096,2915,23845,27901,27902,53766,53768,79342,79343</link.rule.ids></links><search><creatorcontrib>Borse, Swapnil</creatorcontrib><creatorcontrib>Joshi, Manali</creatorcontrib><creatorcontrib>Saggam, Akash</creatorcontrib><creatorcontrib>Bhat, Vedika</creatorcontrib><creatorcontrib>Walia, Safal</creatorcontrib><creatorcontrib>Marathe, Aniket</creatorcontrib><creatorcontrib>Sagar, Sneha</creatorcontrib><creatorcontrib>Chavan-Gautam, Preeti</creatorcontrib><creatorcontrib>Girme, Aboli</creatorcontrib><creatorcontrib>Hingorani, Lal</creatorcontrib><creatorcontrib>Tillu, Girish</creatorcontrib><title>Ayurveda botanicals in COVID-19 management: An in silico multi-target approach</title><title>PloS one</title><description>The Coronavirus disease (COVID-19) caused by the virus SARS-CoV-2 has become a global pandemic in a very short time span. Currently, there is no specific treatment or vaccine to counter this highly contagious disease. There is an urgent need to find a specific cure for the disease and global efforts are directed at developing SARS-CoV-2 specific antivirals and immunomodulators. Ayurvedic Rasayana therapy has been traditionally used in India for its immunomodulatory and adaptogenic effects, and more recently has been included as therapeutic adjuvant for several maladies. Amongst several others, Withania somnifera (Ashwagandha), Tinospora cordifolia (Guduchi) and Asparagus racemosus (Shatavari) play an important role in Rasayana therapy. The objective of this study was to explore the immunomodulatory and anti SARS-CoV2 potential of phytoconstituents from Ashwagandha, Guduchi and Shatavari using network pharmacology and docking. The plant extracts were prepared as per ayurvedic procedures and a total of 31 phytoconstituents were identified using UHPLC-PDA and mass spectrometry studies. To assess the immunomodulatory potential of these phytoconstituents an in-silico network pharmacology model was constructed. The model predicts that the phytoconstituents possess the potential to modulate several targets in immune pathways potentially providing a protective role. To explore if these phytoconstituents also possess antiviral activity, docking was performed with the Spike protein, Main Protease and RNA dependent RNA polymerase of the virus. Interestingly, several phytoconstituents are predicted to possess good affinity for the three targets, suggesting their application for the termination of viral life cycle. Further, predictive tools indicate that there would not be adverse herb-drug pharmacokinetic-pharmacodynamic interactions with concomitantly administered drug therapy. We thus make a compelling case to evaluate the potential of these Rasayana botanicals as therapeutic adjuvants in the management of COVID-19 following rigorous experimental validation.</description><subject>Antihypertensives</subject><subject>Antiviral agents</subject><subject>Asthma</subject><subject>Ayurvedic medicine</subject><subject>Bioinformatics</subject><subject>Biology and life sciences</subject><subject>Coronaviruses</subject><subject>COVID-19</subject><subject>Data analysis</subject><subject>Diabetes</subject><subject>Diabetes mellitus</subject><subject>Disease</subject><subject>Drug therapy</subject><subject>Drugs</subject><subject>Editing</subject><subject>Enzymes</subject><subject>Funding</subject><subject>Health aspects</subject><subject>Health sciences</subject><subject>Hypertension</subject><subject>Immune system</subject><subject>Immunomodulation</subject><subject>Immunosuppressive agents</subject><subject>Interdisciplinary aspects</subject><subject>Medicine and Health Sciences</subject><subject>Medicine, Ayurvedic</subject><subject>Methodology</subject><subject>Pandemics</subject><subject>Pharmaceutical industry</subject><subject>Pharmacology, Experimental</subject><subject>Physical Sciences</subject><subject>Phytochemicals</subject><subject>Plant products</subject><subject>RNA polymerase</subject><subject>Severe acute respiratory syndrome</subject><subject>Severe acute respiratory syndrome coronavirus 2</subject><subject>Therapeutic targets</subject><subject>Vegetables</subject><subject>Viral diseases</subject><subject>Viral infections</subject><subject>Viruses</subject><subject>Visualization</subject><issn>1932-6203</issn><issn>1932-6203</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><sourceid>BENPR</sourceid><sourceid>DOA</sourceid><recordid>eNqNkl2L1DAUhoso7rr6DwQLguBFx6RN0sQLYRi_BhYH_NjbkCannSxtMybp4v57M06VLShILhLOec6bw3tOlj3FaIWrGr-6dpMfVb86uBFWqCSc1OJedo5FVRasRNX9O--z7FEI1wjRijP2MDurCMa0ZtV59ml9O_kbMCpvXFSj1aoPuR3zze5q-7bAIh_UqDoYYIyv8_V4TAXbW-3yYeqjLaLyHcRcHQ7eKb1_nD1okwI8me-L7Nv7d183H4vL3YftZn1ZaMZELEyFGSEtKqE0lDYEldwIRLAxLdSKEUp5TVqCOKlAlw2YRtU1xU3NRQtlXVYX2bOT7qF3Qc5WBFlSgpAQjB6J7YkwTl3Lg7eD8rfSKSt_BZzvpPLR6h6kYAYxA6LkTJOWad4Abii0vGkYUK6S1pv5t6kZwOhkhlf9QnSZGe1edu5GcixomlUSeD4LePd9ghD_0fJMdSp1ZcfWJTE92KDlmjHCReLqRK3-QqVjYEhzGaG1Kb4oeLkoSEyEH7FTUwhy--Xz_7O7qyX74g67B9XHfXD9FK0bwxIkJ1B7F4KH9o9zGMnjLv92Qx53Wc67XP0EoNvkEQ</recordid><startdate>20210611</startdate><enddate>20210611</enddate><creator>Borse, Swapnil</creator><creator>Joshi, Manali</creator><creator>Saggam, Akash</creator><creator>Bhat, Vedika</creator><creator>Walia, Safal</creator><creator>Marathe, Aniket</creator><creator>Sagar, Sneha</creator><creator>Chavan-Gautam, Preeti</creator><creator>Girme, Aboli</creator><creator>Hingorani, Lal</creator><creator>Tillu, Girish</creator><general>Public Library of Science</general><general>Public Library of Science (PLoS)</general><scope>AAYXX</scope><scope>CITATION</scope><scope>IOV</scope><scope>ISR</scope><scope>3V.</scope><scope>7QG</scope><scope>7QL</scope><scope>7QO</scope><scope>7RV</scope><scope>7SN</scope><scope>7SS</scope><scope>7T5</scope><scope>7TG</scope><scope>7TM</scope><scope>7U9</scope><scope>7X2</scope><scope>7X7</scope><scope>7XB</scope><scope>88E</scope><scope>8AO</scope><scope>8C1</scope><scope>8FD</scope><scope>8FE</scope><scope>8FG</scope><scope>8FH</scope><scope>8FI</scope><scope>8FJ</scope><scope>8FK</scope><scope>ABJCF</scope><scope>ABUWG</scope><scope>AEUYN</scope><scope>AFKRA</scope><scope>ARAPS</scope><scope>ATCPS</scope><scope>AZQEC</scope><scope>BBNVY</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>BHPHI</scope><scope>C1K</scope><scope>CCPQU</scope><scope>COVID</scope><scope>D1I</scope><scope>DWQXO</scope><scope>FR3</scope><scope>FYUFA</scope><scope>GHDGH</scope><scope>GNUQQ</scope><scope>H94</scope><scope>HCIFZ</scope><scope>K9.</scope><scope>KB.</scope><scope>KB0</scope><scope>KL.</scope><scope>L6V</scope><scope>LK8</scope><scope>M0K</scope><scope>M0S</scope><scope>M1P</scope><scope>M7N</scope><scope>M7P</scope><scope>M7S</scope><scope>NAPCQ</scope><scope>P5Z</scope><scope>P62</scope><scope>P64</scope><scope>PATMY</scope><scope>PDBOC</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>PTHSS</scope><scope>PYCSY</scope><scope>RC3</scope><scope>5PM</scope><scope>DOA</scope><orcidid>https://orcid.org/0000-0002-8967-3492</orcidid><orcidid>https://orcid.org/0000-0001-8514-3171</orcidid><orcidid>https://orcid.org/0000-0002-1536-1656</orcidid><orcidid>https://orcid.org/0000-0003-1845-9226</orcidid><orcidid>https://orcid.org/0000-0003-0371-0633</orcidid></search><sort><creationdate>20210611</creationdate><title>Ayurveda botanicals in COVID-19 management: An in silico multi-target approach</title><author>Borse, Swapnil ; Joshi, Manali ; Saggam, Akash ; Bhat, Vedika ; Walia, Safal ; Marathe, Aniket ; Sagar, Sneha ; Chavan-Gautam, Preeti ; Girme, Aboli ; Hingorani, Lal ; Tillu, Girish</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c669t-d31644f02e2d55b4028d9041ddfe7a6455874f40843ec2bedba7751b789fe2723</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Antihypertensives</topic><topic>Antiviral agents</topic><topic>Asthma</topic><topic>Ayurvedic medicine</topic><topic>Bioinformatics</topic><topic>Biology and life sciences</topic><topic>Coronaviruses</topic><topic>COVID-19</topic><topic>Data analysis</topic><topic>Diabetes</topic><topic>Diabetes mellitus</topic><topic>Disease</topic><topic>Drug therapy</topic><topic>Drugs</topic><topic>Editing</topic><topic>Enzymes</topic><topic>Funding</topic><topic>Health aspects</topic><topic>Health sciences</topic><topic>Hypertension</topic><topic>Immune system</topic><topic>Immunomodulation</topic><topic>Immunosuppressive agents</topic><topic>Interdisciplinary aspects</topic><topic>Medicine and Health Sciences</topic><topic>Medicine, Ayurvedic</topic><topic>Methodology</topic><topic>Pandemics</topic><topic>Pharmaceutical industry</topic><topic>Pharmacology, Experimental</topic><topic>Physical Sciences</topic><topic>Phytochemicals</topic><topic>Plant products</topic><topic>RNA polymerase</topic><topic>Severe acute respiratory syndrome</topic><topic>Severe acute respiratory syndrome coronavirus 2</topic><topic>Therapeutic targets</topic><topic>Vegetables</topic><topic>Viral diseases</topic><topic>Viral infections</topic><topic>Viruses</topic><topic>Visualization</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Borse, Swapnil</creatorcontrib><creatorcontrib>Joshi, Manali</creatorcontrib><creatorcontrib>Saggam, Akash</creatorcontrib><creatorcontrib>Bhat, Vedika</creatorcontrib><creatorcontrib>Walia, Safal</creatorcontrib><creatorcontrib>Marathe, Aniket</creatorcontrib><creatorcontrib>Sagar, Sneha</creatorcontrib><creatorcontrib>Chavan-Gautam, Preeti</creatorcontrib><creatorcontrib>Girme, Aboli</creatorcontrib><creatorcontrib>Hingorani, Lal</creatorcontrib><creatorcontrib>Tillu, Girish</creatorcontrib><collection>CrossRef</collection><collection>Gale In Context: Opposing Viewpoints</collection><collection>Gale In Context: Science</collection><collection>ProQuest Central (Corporate)</collection><collection>Animal Behavior Abstracts</collection><collection>Bacteriology Abstracts (Microbiology B)</collection><collection>Biotechnology Research Abstracts</collection><collection>Nursing & Allied Health Database</collection><collection>Ecology Abstracts</collection><collection>Entomology Abstracts (Full archive)</collection><collection>Immunology Abstracts</collection><collection>Meteorological & Geoastrophysical Abstracts</collection><collection>Nucleic Acids Abstracts</collection><collection>Virology and AIDS Abstracts</collection><collection>Agricultural Science Collection</collection><collection>Health & Medical Collection</collection><collection>ProQuest Central (purchase pre-March 2016)</collection><collection>Medical Database (Alumni Edition)</collection><collection>ProQuest Pharma Collection</collection><collection>Public Health Database</collection><collection>Technology Research Database</collection><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>ProQuest Natural Science Collection</collection><collection>Hospital Premium Collection</collection><collection>Hospital Premium Collection (Alumni Edition)</collection><collection>ProQuest Central (Alumni) (purchase pre-March 2016)</collection><collection>Materials Science & Engineering Collection</collection><collection>ProQuest Central (Alumni Edition)</collection><collection>ProQuest One Sustainability</collection><collection>ProQuest Central UK/Ireland</collection><collection>Advanced Technologies & Aerospace Collection</collection><collection>Agricultural & Environmental Science Collection</collection><collection>ProQuest Central Essentials</collection><collection>Biological Science Collection</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>Natural Science Collection</collection><collection>Environmental Sciences and Pollution Management</collection><collection>ProQuest One Community College</collection><collection>Coronavirus Research Database</collection><collection>ProQuest Materials Science Collection</collection><collection>ProQuest Central Korea</collection><collection>Engineering Research Database</collection><collection>Health Research Premium Collection</collection><collection>Health Research Premium Collection (Alumni)</collection><collection>ProQuest Central Student</collection><collection>AIDS and Cancer Research Abstracts</collection><collection>SciTech Premium Collection</collection><collection>ProQuest Health & Medical Complete (Alumni)</collection><collection>Materials Science Database</collection><collection>Nursing & Allied Health Database (Alumni Edition)</collection><collection>Meteorological & Geoastrophysical Abstracts - Academic</collection><collection>ProQuest Engineering Collection</collection><collection>ProQuest Biological Science Collection</collection><collection>Agricultural Science Database</collection><collection>Health & Medical Collection (Alumni Edition)</collection><collection>Medical Database</collection><collection>Algology Mycology and Protozoology Abstracts (Microbiology C)</collection><collection>Biological Science Database</collection><collection>Engineering Database</collection><collection>Nursing & Allied Health Premium</collection><collection>Advanced Technologies & Aerospace Database</collection><collection>ProQuest Advanced Technologies & Aerospace Collection</collection><collection>Biotechnology and BioEngineering Abstracts</collection><collection>Environmental Science Database</collection><collection>Materials Science Collection</collection><collection>Publicly Available Content Database</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><collection>Engineering Collection</collection><collection>Environmental Science Collection</collection><collection>Genetics Abstracts</collection><collection>PubMed Central (Full Participant titles)</collection><collection>DOAJ Directory of Open Access Journals</collection><jtitle>PloS one</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Borse, Swapnil</au><au>Joshi, Manali</au><au>Saggam, Akash</au><au>Bhat, Vedika</au><au>Walia, Safal</au><au>Marathe, Aniket</au><au>Sagar, Sneha</au><au>Chavan-Gautam, Preeti</au><au>Girme, Aboli</au><au>Hingorani, Lal</au><au>Tillu, Girish</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Ayurveda botanicals in COVID-19 management: An in silico multi-target approach</atitle><jtitle>PloS one</jtitle><date>2021-06-11</date><risdate>2021</risdate><volume>16</volume><issue>6</issue><spage>e0248479</spage><pages>e0248479-</pages><issn>1932-6203</issn><eissn>1932-6203</eissn><abstract>The Coronavirus disease (COVID-19) caused by the virus SARS-CoV-2 has become a global pandemic in a very short time span. Currently, there is no specific treatment or vaccine to counter this highly contagious disease. There is an urgent need to find a specific cure for the disease and global efforts are directed at developing SARS-CoV-2 specific antivirals and immunomodulators. Ayurvedic Rasayana therapy has been traditionally used in India for its immunomodulatory and adaptogenic effects, and more recently has been included as therapeutic adjuvant for several maladies. Amongst several others, Withania somnifera (Ashwagandha), Tinospora cordifolia (Guduchi) and Asparagus racemosus (Shatavari) play an important role in Rasayana therapy. The objective of this study was to explore the immunomodulatory and anti SARS-CoV2 potential of phytoconstituents from Ashwagandha, Guduchi and Shatavari using network pharmacology and docking. The plant extracts were prepared as per ayurvedic procedures and a total of 31 phytoconstituents were identified using UHPLC-PDA and mass spectrometry studies. To assess the immunomodulatory potential of these phytoconstituents an in-silico network pharmacology model was constructed. The model predicts that the phytoconstituents possess the potential to modulate several targets in immune pathways potentially providing a protective role. To explore if these phytoconstituents also possess antiviral activity, docking was performed with the Spike protein, Main Protease and RNA dependent RNA polymerase of the virus. Interestingly, several phytoconstituents are predicted to possess good affinity for the three targets, suggesting their application for the termination of viral life cycle. Further, predictive tools indicate that there would not be adverse herb-drug pharmacokinetic-pharmacodynamic interactions with concomitantly administered drug therapy. We thus make a compelling case to evaluate the potential of these Rasayana botanicals as therapeutic adjuvants in the management of COVID-19 following rigorous experimental validation.</abstract><cop>San Francisco</cop><pub>Public Library of Science</pub><pmid>34115763</pmid><doi>10.1371/journal.pone.0248479</doi><tpages>e0248479</tpages><orcidid>https://orcid.org/0000-0002-8967-3492</orcidid><orcidid>https://orcid.org/0000-0001-8514-3171</orcidid><orcidid>https://orcid.org/0000-0002-1536-1656</orcidid><orcidid>https://orcid.org/0000-0003-1845-9226</orcidid><orcidid>https://orcid.org/0000-0003-0371-0633</orcidid><oa>free_for_read</oa></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 1932-6203 |
| ispartof | PloS one, 2021-06, Vol.16 (6), p.e0248479 |
| issn | 1932-6203 1932-6203 |
| language | eng |
| recordid | cdi_plos_journals_2540099652 |
| source | DOAJ Directory of Open Access Journals; Elektronische Zeitschriftenbibliothek - Frei zugängliche E-Journals; PubMed Central; Free Full-Text Journals in Chemistry; Public Library of Science (PLoS) |
| subjects | Antihypertensives Antiviral agents Asthma Ayurvedic medicine Bioinformatics Biology and life sciences Coronaviruses COVID-19 Data analysis Diabetes Diabetes mellitus Disease Drug therapy Drugs Editing Enzymes Funding Health aspects Health sciences Hypertension Immune system Immunomodulation Immunosuppressive agents Interdisciplinary aspects Medicine and Health Sciences Medicine, Ayurvedic Methodology Pandemics Pharmaceutical industry Pharmacology, Experimental Physical Sciences Phytochemicals Plant products RNA polymerase Severe acute respiratory syndrome Severe acute respiratory syndrome coronavirus 2 Therapeutic targets Vegetables Viral diseases Viral infections Viruses Visualization |
| title | Ayurveda botanicals in COVID-19 management: An in silico multi-target approach |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-02-08T11%3A09%3A05IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-gale_plos_&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Ayurveda%20botanicals%20in%20COVID-19%20management:%20An%20in%20silico%20multi-target%20approach&rft.jtitle=PloS%20one&rft.au=Borse,%20Swapnil&rft.date=2021-06-11&rft.volume=16&rft.issue=6&rft.spage=e0248479&rft.pages=e0248479-&rft.issn=1932-6203&rft.eissn=1932-6203&rft_id=info:doi/10.1371/journal.pone.0248479&rft_dat=%3Cgale_plos_%3EA664890997%3C/gale_plos_%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2540099652&rft_id=info:pmid/34115763&rft_galeid=A664890997&rft_doaj_id=oai_doaj_org_article_96d06de9286c4f6c8be1b5ef8bb6e58a&rfr_iscdi=true |