Research graph
References from Inhibition of the main protease of SARS-CoV-2 (M pro ) by repurposing/designing drug-like substances and utilizing nature’s toolbox of bioactive compounds. Local targets link to admitted publications; unresolved targets remain external evidence.
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N-Terminomics for the Identification of In Vitro Substrates and Cleavage Site Specificity of the SARS-CoV-2 Main Protease
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Recognition of Divergent Viral Substrates by the SARS-CoV - 2 Main Protease
2021 · External reference
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2020 · External reference
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Identification of key interactions between SARS-CoV-2 main protease and inhibitor drug candidates
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Structural plasticity of SARS-CoV-2 3CL Mpro active site cavity revealed by room temperature X-ray crystallography
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2020 · External reference
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Protease inhibitor GC376 for COVID-19: Lessons learned from feline infectious peritonitis
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Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease
2020 · External reference
Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication
2020 · External reference
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A Comparative Analysis of SARS-CoV-2 Antivirals Characterizes 3CL pro Inhibitor PF-00835231 as a Potential New Treatment for
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3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents
2021 · External reference
A small molecule compound with an indole moiety inhibits the main protease of SARS-CoV-2 and blocks virus replication
2021 · External reference
Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors
10.1038/s41467-021-22362-2 · 2021 · External reference
10.1021/acsmedchemlett.0c00521
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10.1039/d0md00367k
10.1039/d0md00367k · External reference
Structural basis for the inhibition of the SARS-CoV-2 main protease by the anti-HCV drug narlaprevir
2021 · External reference
10.1038/s41422-020-0356-z
10.1038/s41422-020-0356-z · External reference
Bispecific repurposed medicines targeting the viral and immunological arms of COVID - 19
2021 · External reference
10.1021/acsptsci.0c00216
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10.1101/2020.05.23.112235
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10.1021/acs.biochem.1c00414
10.1021/acs.biochem.1c00414 · External reference
Identification of proteasome and caspase inhibitors targeting SARS-CoV-2 Mpro
10.1038/s41392-021-00639-8 · 2021 · External reference
10.1016/j.freeradbiomed.2020.06.032
10.1016/j.freeradbiomed.2020.06.032 · External reference
Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives
10.1038/s41467-021-23313-7 · 2021 · External reference
Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur
10.1038/s41594-020-0440-6 · 2020 · External reference
10.1021/acs.jmedchem.1c01214
10.1021/acs.jmedchem.1c01214 · External reference
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease
10.1038/s41467-020-18709-w · 2020 · External reference
10.1021/acsmedchemlett.0c00521
10.1021/acsmedchemlett.0c00521 · External reference
Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations
2021 · External reference
10.1016/j.str.2021.06.002
10.1016/j.str.2021.06.002 · External reference
10.3390/v13020174
10.3390/v13020174 · External reference
Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CLpro)
2021 · External reference
Expedited Approach toward the Rational Design of Noncovalent SARS-CoV-2 Main Protease Inhibitors
2021 · External reference
NMR spectroscopy of the main protease of SARS-CoV-2 and fragment-based screening identify three protein hotspots and an antiviral fragment
2021 · External reference
10.1101/2021.06.15.448551
10.1101/2021.06.15.448551 · External reference
10.1016/j.bbrc.2021.03.096
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10.1038/s41467-022-28354-0
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10.1038/s41467-021-26239-2
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Efficacy of Antibodies and Antiviral Drugs against Covid-19 Omicron Variant
2022 · External reference
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10.1101/2022.01.26.477782
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10.1101/2020.09.16.299800
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Efficacy of GC-376 against SARS-CoV-2 virus infection in the K18 hACE2 transgenic mouse model
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Analysis of the efficacy of HIV protease inhibitors against SARS-CoV-2’s main protease
10.1186/s12985-020-01457-0 · 2020 · External reference
10.1021/acsomega.0c04808
10.1021/acsomega.0c04808 · External reference
Validation and invalidation of SARS-CoV-2 main protease inhibitors using the Flip-GFP and Protease-Glo luciferase assays
2021 · External reference
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10.1016/j.ijid.2020.09.1466
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10.3390/ijms21113793
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10.1080/07391102.2020.1819880
10.1080/07391102.2020.1819880 · External reference
10.3390/antibiotics10121507
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10.3390/molecules25215064
10.3390/molecules25215064 · External reference
10.1016/j.lfs.2020.118080
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10.3390/v13081669
10.3390/v13081669 · External reference
10.1002/iub.2465
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10.1021/acs.biochem.0c00462
10.1021/acs.biochem.0c00462 · External reference
10.1038/s41401-020-0483-6
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Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease
2021 · External reference
10.1080/14756366.2021.1873977
10.1080/14756366.2021.1873977 · External reference
10.3389/fphar.2021.669642
10.3389/fphar.2021.669642 · External reference
10.1016/j.jtumed.2020.12.005
10.1016/j.jtumed.2020.12.005 · External reference
Inhibition of SARS-CoV-2 main protease by phenolic compounds from Manilkara hexandra (Roxb.) Dubard assisted by metabolite profiling and in silico virtual screening
10.1039/d0ra05679k · 2020 · External reference
In silico and in vitro evaluation of kaempferol as a potential inhibitor of the SARS-CoV-2 main protease (3CLpro)
10.1002/ptr.6998 · 2021 · External reference
10.1080/07391102.2021.1957712
10.1080/07391102.2021.1957712 · External reference
10.1016/j.ijbiomac.2020.07.235
10.1016/j.ijbiomac.2020.07.235 · External reference
10.1080/07391102.2020.1819883
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In silico Screening of Natural Compounds as Potential Inhibitors of SARS-CoV-2 Main Protease and Spike RBD: Targets for COVID-19
2021 · External reference
“In silico docking analysis revealed the potential of phytochemicals present in Phyllanthus amarus and Andrographis paniculata, used in Ayurveda medicine in inhibiting SARS-CoV-2”, 3
2021 · External reference
In-Silico approach for identification of effective and stable inhibitors for COVID-19 main protease (Mpro) from flavonoid based phytochemical constituents of Calendula officinalis
2020 · External reference
10.3390/molecules26195844
10.3390/molecules26195844 · External reference
10.1016/j.jmgm.2021.108028
10.1016/j.jmgm.2021.108028 · External reference
Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease
2020 · External reference
10.3389/fpls.2020.601316
10.3389/fpls.2020.601316 · External reference
Tea Polyphenols EGCG and Theaflavin Inhibit the Activity of SARS-CoV-2 3CL-Protease In Vitro
10.1155/2020/5630838 · 2020 · External reference
10.3390/ph14030213
10.3390/ph14030213 · External reference
10.3390/foods10071503
10.3390/foods10071503 · External reference
A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2
2021 · External reference
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10.3389/fmolb.2020.599079
10.3389/fmolb.2020.599079 · External reference
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10.1080/07391102.2020.1794970
10.1080/07391102.2020.1794970 · External reference
10.3390/molecules26092654
10.3390/molecules26092654 · External reference
10.1007/s13337-021-00658-7
10.1007/s13337-021-00658-7 · External reference
Evaluation of potency of the selected bioactive molecules from Indian medicinal plants with MPro of SARS-CoV-2 through in silico analysis
2021 · External reference
10.1080/07391102.2020.1810778
10.1080/07391102.2020.1810778 · External reference
10.3390/v13040609
10.3390/v13040609 · External reference
10.3390/molecules26030674
10.3390/molecules26030674 · External reference
10.3390/antibiotics10081011
10.3390/antibiotics10081011 · External reference
10.3390/ph14080742
10.3390/ph14080742 · External reference
10.1016/j.sajb.2021.05.023
10.1016/j.sajb.2021.05.023 · External reference
10.3390/molecules26175230
10.3390/molecules26175230 · External reference
Punicalagin and zinc (II) ions inhibit the activity of SARS-CoV-2 3CL-protease in vitro
2021 · External reference
Delineating a potent antiviral activity of Cuphea ignea extract loaded nano-formulation against SARS-CoV-2: In silico and in vitro studies
10.1016/j.jddst.2021.102845 · 2021 · External reference
10.1039/d1ra00142f
10.1039/d1ra00142f · External reference
10.1002/ptr.6802
10.1002/ptr.6802 · External reference
10.1038/s41586-020-2223-y
10.1038/s41586-020-2223-y · External reference
10.1111/fcp.12708
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10.1080/07391102.2021.1947893
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10.1080/07391102.2020.1763201
10.1080/07391102.2020.1763201 · External reference
Potential of Plant Bioactive Compounds as SARS-CoV-2 Main Protease (Mpro) and Spike (S) Glycoprotein Inhibitors: A Molecular Docking Study
2020 · External reference
Evaluation of green tea polyphenols as novel corona virus (SARS CoV-2) main protease (Mpro) inhibitors–an in silico docking and molecular dynamics simulation study
2020 · External reference
10.3390/biology10070589
10.3390/biology10070589 · External reference
10.1080/17512433.2021.1959318
10.1080/17512433.2021.1959318 · External reference
Phytochemicals of Rhus spp. as Potential Inhibitors of the SARS-CoV-2 Main Protease: Molecular Docking and Drug-Likeness Study
10.1155/2021/8814890 · 2021 · External reference
Investigating Potential Inhibitory Effect of Uncaria tomentosa (Cat’s Claw) against the Main Protease 3CLpro of SARS-CoV-2 by Molecular Modeling
10.1155/2020/4932572 · 2020 · External reference
10.1080/14786419.2021.1983813
10.1080/14786419.2021.1983813 · External reference
10.1080/07391102.2020.1815584
10.1080/07391102.2020.1815584 · External reference
In silico screening of natural compounds against COVID-19 by targeting Mpro and ACE2 using molecular docking
2020 · External reference
10.3390/v13020305
10.3390/v13020305 · External reference
10.3390/molecules26082210
10.3390/molecules26082210 · External reference
Withanone and caffeic acid phenethyl ester are predicted to interact with main protease (Mpro) of SARS-CoV-2 and inhibit its activity
10.1080/07391102.2020.1772108 · 2021 · External reference
In silico analysis of selected alkaloids against main protease (Mpro) of SARS-CoV-2
10.1016/j.cbi.2020.109309 · 2020 · External reference
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10.1016/j.foodchem.2021.130589 · External reference
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10.1039/d0ra04876c · External reference
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10.1080/07391102.2020.1796799 · External reference
10.1080/07391102.2020.1803968
10.1080/07391102.2020.1803968 · External reference
in silico binding studies with b-sitosterol and some of its fatty acid esters to 3C-like protease of SARS-CoV-2
10.22271/plants.2020.v8.i5b.1198 · 2020 · External reference
“Cordifolioside: potent inhibitor against Mpro of SARS-CoV-2 and immunomodulatory through human TGF-β and TNF-α”, 3
2021 · External reference
In silico approach for identification of natural compounds as potential COVID 19 main protease (Mpro) inhibitors
10.1007/s13337-021-00701-7 · 2021 · External reference
10.1016/j.compbiomed.2021.104538
10.1016/j.compbiomed.2021.104538 · External reference
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10.1080/07391102.2020.1841680 · External reference
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10.1080/07391102.2020.1802347 · External reference
10.3390/md18040225
10.3390/md18040225 · External reference
10.1016/j.sjbs.2021.01.040
10.1016/j.sjbs.2021.01.040 · External reference
Predictive modeling by deep learning, virtual screening and molecular dynamics study of natural compounds against SARS-CoV-2 main protease
10.1080/07391102.2020.1802341 · 2021 · External reference
Natural compounds from Clerodendrum spp. as possible therapeutic candidates against SARS-CoV-2: An in silico investigation
10.1080/07391102.2020.1780947 · 2021 · External reference
10.1080/07391102.2021.1902394
10.1080/07391102.2021.1902394 · External reference
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10.1080/07391102.2021.1936183 · External reference
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10.1080/07391102.2020.1777901 · External reference
10.1016/j.compbiomed.2021.104362
10.1016/j.compbiomed.2021.104362 · External reference
Nature to nurture-Identifying Phytochemicals from Indian Medicinal Plants as Prophylactic Medicine by Rational Screening to Be Potent Against Multiple Drug Targets of SARS-CoV-2
2020 · External reference
Employing bioactive compounds derived from Ipomoea obscura (L.) to evaluate potential inhibitor for SARS-CoV-2 main protease and ACE2 protein
10.1002/fft2.29 · 2020 · External reference
10.3389/fphar.2021.667704
10.3389/fphar.2021.667704 · External reference
The dual role of phytochemicals on SARS-CoV-2 inhibition by targeting host and viral proteins
2021 · External reference
10.1080/07391102.2021.1969285
10.1080/07391102.2021.1969285 · External reference
10.1080/07391102.2020.1845980
10.1080/07391102.2020.1845980 · External reference
10.3390/sym13061041
10.3390/sym13061041 · External reference
Potential bioactive compounds as SARS-CoV-2 inhibitors from extracts of the marine red alga Halymenia durvillei (Rhodophyta) – A computational study
10.1016/j.arabjc.2021.103393 · 2021 · External reference
10.1080/07391102.2020.1790425
10.1080/07391102.2020.1790425 · External reference
SARS-CoV-2 main protease inhibition by compounds isolated from Luffa cylindrica using molecular docking
10.1016/j.bmcl.2021.127972 · 2021 · External reference
10.1080/07391102.2020.1860133
10.1080/07391102.2020.1860133 · External reference
Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations
10.1080/07391102.2020.1758790 · 2021 · External reference
In-silico Discovery of Fungal Metabolites Bergenin, Quercitrin and Dihydroartemisinin as Potential Inhibitors against Main Protease of SARSCoV- 2
2020 · External reference
10.1039/d1ra05817g
10.1039/d1ra05817g · External reference
Reckoning a fungal metabolite, Pyranonigrin A as a potential Main protease (Mpro) inhibitor of novel SARS-CoV-2 virus identified using docking and molecular dynamics simulation
10.1016/j.bpc.2020.106425 · 2020 · External reference
10.3390/microorganisms8070970
10.3390/microorganisms8070970 · External reference
Alkaloids from Cryptolepis sanguinolenta as Potential Inhibitors of SARS-CoV-2 Viral Proteins: An In Silico Study
10.1155/2020/5324560 · 2020 · External reference
10.2217/fvl-2020-0079
10.2217/fvl-2020-0079 · External reference
