{"id":"https://openalex.org/W4296749596","doi":"https://doi.org/10.53365/nrfhh/153401","title":"In silico Investigation of inhibitory characteristics of phytoconstituents from Moringa oleifera against SARS-CoV-2 viral proteins","display_name":"In silico Investigation of inhibitory characteristics of phytoconstituents from Moringa oleifera against SARS-CoV-2 viral proteins","publication_year":2022,"publication_date":"2022-09-21","ids":{"openalex":"https://openalex.org/W4296749596","doi":"https://doi.org/10.53365/nrfhh/153401"},"language":"en","primary_location":{"id":"doi:10.53365/nrfhh/153401","doi":"https://doi.org/10.53365/nrfhh/153401","is_oa":true,"landing_page_url":"https://doi.org/10.53365/nrfhh/153401","pdf_url":"https://www.nrfhh.com/pdf-153401-82940?filename=In silico Investigation.pdf","source":{"id":"https://openalex.org/S4386622127","display_name":"Natural Resources for Human Health","issn_l":"2583-1194","issn":["2583-1194"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Natural Resources for Human Health","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://www.nrfhh.com/pdf-153401-82940?filename=In silico Investigation.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5113983484","display_name":"Amit Kumar Shrivastava","orcid":"https://orcid.org/0000-0002-8915-9186","observed_orcids":["https://orcid.org/0000-0002-8915-9186"]},"institutions":[{"id":"https://openalex.org/I4387153816","display_name":"Universal College of Medical Sciences","ror":"https://ror.org/050z7zv36","country_code":"NP","type":"education","lineage":["https://openalex.org/I4387153816"]}],"countries":["NP"],"is_corresponding":true,"raw_author_name":"Amit Kumar Shrivastava","raw_affiliation_strings":["Department of Pharmacology, Universal College of Medical Sciences, Bhairahawa, Rupandehi, Nepal"],"raw_orcid":"https://orcid.org/0000-0002-8915-9186","affiliations":[{"raw_affiliation_string":"Department of Pharmacology, Universal College of Medical Sciences, Bhairahawa, Rupandehi, Nepal","institution_ids":["https://openalex.org/I4387153816"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015573879","display_name":"Dipendra Chaudhary","orcid":"https://orcid.org/0000-0002-9547-6305","observed_orcids":["https://orcid.org/0000-0002-9547-6305"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Dipendra Chaudhary","raw_affiliation_strings":["Department of Pharmacy, Lumbini Provincial Hospital, Butwal, Rupandehi, Nepal"],"raw_orcid":"https://orcid.org/0000-0002-9547-6305","affiliations":[{"raw_affiliation_string":"Department of Pharmacy, Lumbini Provincial Hospital, Butwal, Rupandehi, Nepal","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055459225","display_name":"Laxmi Shrestha","orcid":"https://orcid.org/0000-0002-2489-4278","observed_orcids":["https://orcid.org/0000-0002-2489-4278"]},"institutions":[{"id":"https://openalex.org/I4387153816","display_name":"Universal College of Medical Sciences","ror":"https://ror.org/050z7zv36","country_code":"NP","type":"education","lineage":["https://openalex.org/I4387153816"]}],"countries":["NP"],"is_corresponding":false,"raw_author_name":"Laxmi Shrestha","raw_affiliation_strings":["Department of Pharmacology, Universal College of Medical Sciences, Bhairahawa, Rupandehi, Nepal"],"raw_orcid":"https://orcid.org/0000-0002-2489-4278","affiliations":[{"raw_affiliation_string":"Department of Pharmacology, Universal College of Medical Sciences, Bhairahawa, Rupandehi, Nepal","institution_ids":["https://openalex.org/I4387153816"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5000033818","display_name":"Anjan Palikhey","orcid":"https://orcid.org/0000-0002-0224-0791","observed_orcids":["https://orcid.org/0000-0002-0224-0791"]},"institutions":[{"id":"https://openalex.org/I4387153816","display_name":"Universal College of Medical Sciences","ror":"https://ror.org/050z7zv36","country_code":"NP","type":"education","lineage":["https://openalex.org/I4387153816"]}],"countries":["NP"],"is_corresponding":false,"raw_author_name":"Anjan Palikhey","raw_affiliation_strings":["Department of Pharmacology, Universal College of Medical Sciences, Bhairahawa, Rupandehi, Nepal"],"raw_orcid":"https://orcid.org/0000-0002-0224-0791","affiliations":[{"raw_affiliation_string":"Department of Pharmacology, Universal College of Medical Sciences, Bhairahawa, Rupandehi, Nepal","institution_ids":["https://openalex.org/I4387153816"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025638807","display_name":"Chandrajeet Kumar Yadav","orcid":"https://orcid.org/0000-0002-5979-1770","observed_orcids":["https://orcid.org/0000-0002-5979-1770"]},"institutions":[{"id":"https://openalex.org/I4387153816","display_name":"Universal College of Medical Sciences","ror":"https://ror.org/050z7zv36","country_code":"NP","type":"education","lineage":["https://openalex.org/I4387153816"]}],"countries":["NP"],"is_corresponding":false,"raw_author_name":"Chandrajeet Kumar Yadav","raw_affiliation_strings":["Department of Pharmacology, Universal College of Medical Sciences, Bhairahawa, Rupandehi, Nepal"],"raw_orcid":"https://orcid.org/0000-0002-5979-1770","affiliations":[{"raw_affiliation_string":"Department of Pharmacology, Universal College of Medical Sciences, Bhairahawa, Rupandehi, Nepal","institution_ids":["https://openalex.org/I4387153816"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010897408","display_name":"Deepak Basyal","orcid":"https://orcid.org/0000-0003-4314-4728","observed_orcids":["https://orcid.org/0000-0003-4314-4728"]},"institutions":[{"id":"https://openalex.org/I155028946","display_name":"Tribhuvan University","ror":"https://ror.org/02rg1r889","country_code":"NP","type":"education","lineage":["https://openalex.org/I155028946"]},{"id":"https://openalex.org/I4405258250","display_name":"Maharajgunj Medical Campus","ror":"https://ror.org/00bzk5h02","country_code":"NP","type":"education","lineage":["https://openalex.org/I155028946","https://openalex.org/I4405258250","https://openalex.org/I4405260107"]},{"id":"https://openalex.org/I4405260107","display_name":"Institute of Medicine","ror":"https://ror.org/038ymyw44","country_code":"NP","type":"education","lineage":["https://openalex.org/I155028946","https://openalex.org/I4405260107"]}],"countries":["NP"],"is_corresponding":false,"raw_author_name":"Deepak Basyal","raw_affiliation_strings":["Department of Pharmacy, Maharajgunj Medical Campus, Institute of Medicine, Tribhuvan University, Nepal"],"raw_orcid":"https://orcid.org/0000-0003-4314-4728","affiliations":[{"raw_affiliation_string":"Department of Pharmacy, Maharajgunj Medical Campus, Institute of Medicine, Tribhuvan University, Nepal","institution_ids":["https://openalex.org/I155028946","https://openalex.org/I4405258250","https://openalex.org/I4405260107"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030068968","display_name":"Bishal Joshi","orcid":"https://orcid.org/0000-0001-9096-4660","observed_orcids":["https://orcid.org/0000-0001-9096-4660"]},"institutions":[{"id":"https://openalex.org/I4387153816","display_name":"Universal College of Medical Sciences","ror":"https://ror.org/050z7zv36","country_code":"NP","type":"education","lineage":["https://openalex.org/I4387153816"]}],"countries":["NP"],"is_corresponding":false,"raw_author_name":"Bishal Joshi","raw_affiliation_strings":["Department of Physiology, Universal College of Medical Sciences, Bhairahawa, Rupandehi, Nepal"],"raw_orcid":"https://orcid.org/0000-0001-9096-4660","affiliations":[{"raw_affiliation_string":"Department of Physiology, Universal College of Medical Sciences, Bhairahawa, Rupandehi, Nepal","institution_ids":["https://openalex.org/I4387153816"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5048623799","display_name":"Mohammad Ujair Shekh","orcid":"https://orcid.org/0000-0003-4911-4378","observed_orcids":["https://orcid.org/0000-0003-4911-4378"]},"institutions":[{"id":"https://openalex.org/I4387153816","display_name":"Universal College of Medical Sciences","ror":"https://ror.org/050z7zv36","country_code":"NP","type":"education","lineage":["https://openalex.org/I4387153816"]}],"countries":["NP"],"is_corresponding":false,"raw_author_name":"Mohammad Ujair Shekh","raw_affiliation_strings":["Department of Pharmacy, Universal College of Medical Sciences, Bhairahawa, Rupandehi, Nepal"],"raw_orcid":"https://orcid.org/0000-0003-4911-4378","affiliations":[{"raw_affiliation_string":"Department of Pharmacy, Universal College of Medical Sciences, Bhairahawa, Rupandehi, Nepal","institution_ids":["https://openalex.org/I4387153816"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5113983484"],"corresponding_institution_ids":["https://openalex.org/I4387153816"],"apc_list":null,"apc_paid":null,"fwci":0.2605,"has_fulltext":true,"cited_by_count":2,"citation_normalized_percentile":{"value":0.45396761,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":93},"biblio":{"volume":"3","issue":"1","first_page":"101","last_page":"126"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12721","display_name":"Moringa oleifera research and applications","score":0.4957999885082245,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T12721","display_name":"Moringa oleifera research and applications","score":0.4957999885082245,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.44600000977516174,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10118","display_name":"SARS-CoV-2 and COVID-19 Research","score":0.03680000081658363,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/moringa-oleifera","display_name":"Moringa oleifera","score":0.9990000128746033},{"id":"https://openalex.org/keywords/phytochemical-constituents","display_name":"phytochemical constituents","score":0.9259999990463257},{"id":"https://openalex.org/keywords/sars-cov-2","display_name":"SARS-CoV-2","score":0.9660000205039978},{"id":"https://openalex.org/keywords/covid-19","display_name":"COVID-19 pandemic","score":0.9869999885559082},{"id":"https://openalex.org/keywords/main-protease","display_name":"main protease","score":0.609000027179718},{"id":"https://openalex.org/keywords/hydroxychloroquine","display_name":"hydroxychloroquine","score":0.7770000100135803},{"id":"https://openalex.org/keywords/beta-carotene","display_name":"beta-carotene","score":0.9700000286102295},{"id":"https://openalex.org/keywords/myricetin","display_name":"myricetin","score":0.8880000114440918},{"id":"https://openalex.org/keywords/quercetin","display_name":"quercetin","score":1.0},{"id":"https://openalex.org/keywords/vitamin-e","display_name":"vitamin E","score":0.9909999966621399},{"id":"https://openalex.org/keywords/quinic-acid","display_name":"quinic acid","score":0.9440000057220459},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.7440000176429749},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.9449999928474426},{"id":"https://openalex.org/keywords/adme-properties","display_name":"ADME properties","score":0.6150000095367432},{"id":"https://openalex.org/keywords/drug-likeness","display_name":"drug-likeness","score":0.7770000100135803}],"concepts":[{"id":"https://openalex.org/C2778173338","wikidata":"https://www.wikidata.org/wiki/Q951449","display_name":"Myricetin","level":5,"score":0.87831050157547},{"id":"https://openalex.org/C2776836740","wikidata":"https://www.wikidata.org/wiki/Q310468","display_name":"Moringa","level":2,"score":0.7044318318367004},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5428888201713562},{"id":"https://openalex.org/C69366308","wikidata":"https://www.wikidata.org/wiki/Q2272286","display_name":"ADME","level":3,"score":0.4900285005569458},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.41327133774757385},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.39194220304489136},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.37243545055389404},{"id":"https://openalex.org/C2781263971","wikidata":"https://www.wikidata.org/wiki/Q409478","display_name":"Quercetin","level":3,"score":0.31817662715911865},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.16210448741912842},{"id":"https://openalex.org/C2778004101","wikidata":"https://www.wikidata.org/wiki/Q133948","display_name":"Antioxidant","level":2,"score":0.11920380592346191},{"id":"https://openalex.org/C31903555","wikidata":"https://www.wikidata.org/wiki/Q1637030","display_name":"Food science","level":1,"score":0.09488299489021301},{"id":"https://openalex.org/C2777810353","wikidata":"https://www.wikidata.org/wiki/Q393336","display_name":"Kaempferol","level":4,"score":0.08644163608551025},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.53365/nrfhh/153401","doi":"https://doi.org/10.53365/nrfhh/153401","is_oa":true,"landing_page_url":"https://doi.org/10.53365/nrfhh/153401","pdf_url":"https://www.nrfhh.com/pdf-153401-82940?filename=In silico Investigation.pdf","source":{"id":"https://openalex.org/S4386622127","display_name":"Natural Resources for Human Health","issn_l":"2583-1194","issn":["2583-1194"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Natural Resources for Human Health","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.53365/nrfhh/153401","doi":"https://doi.org/10.53365/nrfhh/153401","is_oa":true,"landing_page_url":"https://doi.org/10.53365/nrfhh/153401","pdf_url":"https://www.nrfhh.com/pdf-153401-82940?filename=In silico Investigation.pdf","source":{"id":"https://openalex.org/S4386622127","display_name":"Natural Resources for Human Health","issn_l":"2583-1194","issn":["2583-1194"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Natural Resources for Human Health","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.9391000270843506,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4296749596.pdf","grobid_xml":"https://content.openalex.org/works/W4296749596.grobid-xml"},"referenced_works_count":51,"referenced_works":["https://openalex.org/W1564012501","https://openalex.org/W1991590537","https://openalex.org/W2003076573","https://openalex.org/W2011505858","https://openalex.org/W2012505332","https://openalex.org/W2025697847","https://openalex.org/W2033528241","https://openalex.org/W2039478311","https://openalex.org/W2052907531","https://openalex.org/W2068493131","https://openalex.org/W2090594554","https://openalex.org/W2105649494","https://openalex.org/W2113364934","https://openalex.org/W2127126040","https://openalex.org/W2160592148","https://openalex.org/W2165565773","https://openalex.org/W2179425537","https://openalex.org/W2297560509","https://openalex.org/W2329064994","https://openalex.org/W2340042585","https://openalex.org/W2415916828","https://openalex.org/W2599983591","https://openalex.org/W2623587811","https://openalex.org/W2743635922","https://openalex.org/W2779721790","https://openalex.org/W2890482014","https://openalex.org/W2908150594","https://openalex.org/W2945890185","https://openalex.org/W2986947811","https://openalex.org/W3009655369","https://openalex.org/W3015463909","https://openalex.org/W3016143592","https://openalex.org/W3023787531","https://openalex.org/W3027352019","https://openalex.org/W3028981427","https://openalex.org/W3035451780","https://openalex.org/W3040907131","https://openalex.org/W3102078006","https://openalex.org/W3109316786","https://openalex.org/W3109388425","https://openalex.org/W3112387761","https://openalex.org/W3116243554","https://openalex.org/W3126416050","https://openalex.org/W3133133483","https://openalex.org/W3139009048","https://openalex.org/W3143693293","https://openalex.org/W3181044515","https://openalex.org/W4205917236","https://openalex.org/W4213325914","https://openalex.org/W4234951105","https://openalex.org/W4248107770"],"related_works":["https://openalex.org/W4205597035","https://openalex.org/W4285594016","https://openalex.org/W7153629260","https://openalex.org/W3173340760","https://openalex.org/W3204744278","https://openalex.org/W4405834707","https://openalex.org/W4388186764","https://openalex.org/W4402337063","https://openalex.org/W3208236326","https://openalex.org/W3122375738"],"abstract_inverted_index":{"The":[0,23,72,126,171],"global":[1],"pandemic":[2],"situation":[3],"caused":[4],"by":[5,43],"rare":[6],"viral":[7,131,181],"pneumonia":[8],"occurs":[9],"in":[10,14,190],"late":[11],"December":[12],"2019":[13],"Wuhan,":[15],"China,":[16],"which":[17],"we":[18],"now":[19],"recognize":[20],"as":[21,112],"COVID-19.":[22],"molecular":[24],"docking":[25],"was":[26],"used":[27],"to":[28,87],"identify":[29],"potential":[30],"phytoconstituents":[31,81],"of":[32,75,82,130,158,174,186,192,199,224],"Moringa":[33,83,225],"oleifera":[34,84,226],"and":[35,47,54,108,139,201,211,234],"reference":[36,109],"drug":[37,110],"hydroxychloroquine":[38,111],"on":[39],"SARS-CoV-2":[40,241],"main":[41],"protein":[42,132,159,189],"using":[44,67],"AutoDock":[45],"4.2.6":[46],"Auto":[48],"dock":[49],"Vina.":[50],"All":[51,147],"the":[52,96,164,184,195,202,206,215,221],"physicochemical":[53],"bioactive":[55],"parameters":[56],"(ADME,":[57],"toxicity":[58],"study,":[59],"receptor":[60],"interaction,":[61],"PASS":[62],"analysis,":[63],"drug-likeness)":[64],"were":[65,85],"determined":[66],"different":[68,180],"online":[69],"validated":[70],"software.":[71],"binding":[73,98,229],"energy":[74],"all":[76,101,175,220],"SAR-CoV-2":[77],"proteins":[78,103,182,242],"with":[79,100,105,134,178,188,240],"selected":[80],"found":[86],"be":[88],"beta":[89,115,135,232],"carotene,":[90,136],"vitamin":[91,122,137],"E;":[92],"myricetin,":[93],"quercetin":[94,120],"showed":[95],"highest":[97],"affinity":[99,239],"interacting":[102],"comparable":[104],"other":[106],"drugs":[107],"an":[113,237],"order:":[114],"carotene":[116,233],">":[117,119,121],"myricetin":[118,140,235],"E>":[123],"hydroxychloroquine>quinic":[124],"acid.":[125],"MD":[127,167,207],"simulation":[128,168,208],"analysis":[129],"(6MOJ)":[133],"E":[138],"demonstrated":[141],"strong":[142,196],"stability":[143],"at":[144],"300":[145],"K.":[146],"three":[148,176],"complexes":[149],"exhibit":[150],"persistent":[151],"RMSDs":[152],"value":[153],"(0.25":[154],"\u2013":[155],"1.5":[156],"\u00c5)":[157],"side-chain":[160],"C\u03b1":[161],"atoms":[162],"during":[163,205],"3":[165],"ns":[166],"time":[169],"scale.":[170],"minor":[172],"changes":[173],"ligands":[177,187,200],"2":[179],"increasing":[183],"compactness":[185],"radius":[191],"gyration":[193],"suggested":[194],"structural":[197],"activity":[198],"least":[203],"fluctuation":[204],"(31.2,":[209],"30.0":[210],"31.2),":[212],"respectively.":[213,243],"In":[214],"present":[216],"study":[217],"revealed":[218],"that":[219],"active":[222],"constituents":[223],"show":[227],"good":[228],"affinity,":[230],"but":[231],"have":[236],"excellent":[238]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2022,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2022-09-23T00:00:00"}