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10.1155/2020/5324560

http://scihub22266oqcxt.onion/10.1155/2020/5324560
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suck abstract from ncbi


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pmid33029513      Biomed+Res+Int 2020 ; 2020 (ä): 5324560
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  • Alkaloids from Cryptolepis sanguinolenta as Potential Inhibitors of SARS-CoV-2 Viral Proteins: An In Silico Study #MMPMID33029513
  • Borquaye LS; Gasu EN; Ampomah GB; Kyei LK; Amarh MA; Mensah CN; Nartey D; Commodore M; Adomako AK; Acheampong P; Mensah JO; Mormor DB; Aboagye CI
  • Biomed Res Int 2020[]; 2020 (ä): 5324560 PMID33029513show ga
  • The ongoing global pandemic caused by the human coronavirus, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has infected millions of people and claimed hundreds of thousands of lives. The absence of approved therapeutics to combat this disease threatens the health of all persons on earth and could cause catastrophic damage to society. New drugs are therefore urgently required to bring relief to people everywhere. In addition to repurposing existing drugs, natural products provide an interesting alternative due to their widespread use in all cultures of the world. In this study, alkaloids from Cryptolepis sanguinolenta have been investigated for their ability to inhibit two of the main proteins in SARS-CoV-2, the main protease and the RNA-dependent RNA polymerase, using in silico methods. Molecular docking was used to assess binding potential of the alkaloids to the viral proteins whereas molecular dynamics was used to evaluate stability of the binding event. The results of the study indicate that all 13 alkaloids bind strongly to the main protease and RNA-dependent RNA polymerase with binding energies ranging from -6.7 to -10.6 kcal/mol. In particular, cryptomisrine, cryptospirolepine, cryptoquindoline, and biscryptolepine exhibited very strong inhibitory potential towards both proteins. Results from the molecular dynamics study revealed that a stable protein-ligand complex is formed upon binding. Alkaloids from Cryptolepis sanguinolenta therefore represent a promising class of compounds that could serve as lead compounds in the search for a cure for the corona virus disease.
  • |Alkaloids/chemistry/*pharmacology[MESH]
  • |Antiviral Agents/chemistry/pharmacology[MESH]
  • |Betacoronavirus/*drug effects/enzymology[MESH]
  • |COVID-19[MESH]
  • |Computer Simulation[MESH]
  • |Coronavirus 3C Proteases[MESH]
  • |Coronavirus Infections/*drug therapy/virology[MESH]
  • |Coronavirus RNA-Dependent RNA Polymerase[MESH]
  • |Cryptolepis/*chemistry[MESH]
  • |Cysteine Endopeptidases[MESH]
  • |Drug Evaluation, Preclinical[MESH]
  • |Humans[MESH]
  • |Indole Alkaloids/chemistry/pharmacology[MESH]
  • |Molecular Docking Simulation[MESH]
  • |Molecular Dynamics Simulation[MESH]
  • |Pandemics[MESH]
  • |Pneumonia, Viral/*drug therapy/virology[MESH]
  • |Quantitative Structure-Activity Relationship[MESH]
  • |Quinolines/chemistry/pharmacology[MESH]
  • |RNA-Dependent RNA Polymerase/antagonists & inhibitors[MESH]
  • |SARS-CoV-2[MESH]
  • |Viral Nonstructural Proteins/antagonists & inhibitors[MESH]


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