key: cord-0726884-wb37hwz2 authors: Swain, Shasank Sekhar; Panda, Sujogya Kumar; Luyten, Walter title: Phytochemicals against SARS-CoV as potential drug leads date: 2020-12-10 journal: Biomed J DOI: 10.1016/j.bj.2020.12.002 sha: 30c8ee5e970198f15c84efd09c0e4d269b3a60f2 doc_id: 726884 cord_uid: wb37hwz2 The newly emerged SARS-CoV-2 strains from the coronavirus (CoV) family is causing one of the most disruptive pandemics of the past century. Developing antiviral drugs is a challenge for the scientific community and pharmaceutical industry. Given the health emergency, repurposing of existing antiviral, antiinflammatory or antimalarial drugs is an attractive option for controlling SARS-CoV-2 with drugs. However, phytochemicals selected based on ethnomedicinal information as well as in vitro antiviral studies could be promising as well. Here, we summarise the phytochemicals with reported anti-CoV activity, and further analyzed them computationally to accelerate validation for drug development against SARS-CoV-2. This systematic review started from the most potent phytocompounds (IC(50) in μM) against SARS-CoV, followed by a cluster analysis to locate the most suitable lead(s). The advanced molecular docking used the crystallography structure of SARS-CoV-2-cysteine-like protease (SARS-CoV-2-3CL(pro)) as a target. In total, seventy-eight phytochemicals with anti-CoV activity against different strains in cellular assays, were selected for this computational study, and compared with two existing repurposed FDA-approved drugs: lopinavir and ritonavir. This review brings insights in the potential application of phytochemicals and their derivatives, which could guide researchers to develop safe drugs against SARS-CoV-2. ). In general, according to existing 127 information, alkaloids are comparatively toxic than terpenoids and flavonoids. Thus, the primary 128 aim of this review is to highlighted and structural analysis of such potential anti-CoV 129 phytochemical(s) to provide further guidance for developing new therapeutic agents against SARS- CoV-2 through a computational intelligence platform. WHO-Coronavirus disease (COVID-19) pandemic A novel coronavirus outbreak of global 291 health concern Specific plant terpenoids 359 and lignoids possess potent antiviral activities against severe acute respiratory syndrome 360 coronavirus coronavirus 3C-like protease effects of Isatis indigotica root and plant-derived phenolic 363 compounds Biflavonoids from Torreya nucifera displaying SARS-CoV 366 3CL (pro) inhibition Phenolic 368 phytochemical displaying SARS-CoV papain-like protease inhibition from the seeds of 369 High-throughput screening and 371 identification of potent broad-spectrum inhibitors of coronaviruses Evaluation of polyphenols 374 from Broussonetia papyrifera as coronavirus protease inhibitors A facile inhibitor screening of SARS coronavirus N-protein using nanoparticle-377 based RNA oligonucleotide Antiviral activity of 379 cepharanthine against severe acute respiratory syndrome coronavirus in vitro Procyanidins and butanol 382 extract of Cinnamomi cortex inhibit SARS-CoV infection Emodin blocks the SARS coronavirus spike 384 protein and angiotensin-converting enzyme 2 interaction Geranylated 387 flavonoids displaying SARS-CoV papain-like protease inhibition from the fruits of 388 Paulownia tomentosa Natural Bis-390 benzylisoquinoline alkaloids-tetrandrine, fangchinoline, and cepharanthine, inhibit human 391 coronavirus oc43 infection of MRC-5 human lung cells Antiviral activity of glycyrrhizic acid derivatives against SARS-coronavirus A screen of the NIH clinical collection small molecule library 397 identifies potential anti-coronavirus drugs Kaempferol derivatives as 399 antiviral drugs against the 3a channel protein of coronavirus Identification of myricetin and 401 scutellarein as novel chemical inhibitors of the SARS coronavirus helicase Tanshinones as selective 404 and slow-binding inhibitors for SARS-CoV cysteine proteases Antiviral effects of saikosaponins on human 407 coronavirus 229E in vitro Broad-spectrum antiviral activity of the eIF4A inhibitor silvestrol against corona-and 410 picornaviruses Small molecules blocking the entry of 412 severe acute respiratory syndrome coronavirus into host cells 3C-like Protease Activity by Theaflavin-3,3'-digallate (TF3) Identification of 417 phenanthroindolizines and phenanthroquinolizidines as novel potent anti-coronaviral 418 agents for porcine enteropathogenic coronavirus transmissible gastroenteritis virus and 419 human severe acute respiratory syndrome coronavirus coronavirus (anti-HCoV) triterpenoids from the leaves of Euphorbia neriifolia Computer-aided 424 synthesis of dapsone-phytochemical conjugates against dapsone-resistant Mycobacterium 425 leprae Treatment efficacy 427 analysis of traditional Chinese medicine for novel coronavirus pneumonia (COVID-19): an 428 empirical study from Wuhan Is traditional Chinese medicine useful in the treatment of COVID-19? The proximal origin of 433 SARS-CoV-2 Coronavirus puts drug repurposing on the fast track In silico screening of Chinese herbal 437 medicines with the potential to directly inhibit 2019 novel coronavirus Machine learning techniques for sequence-based 440 prediction of viral-host interactions between SARS-CoV-2 and human proteins