Investigation of angucycline compounds as potential drug candidates against SARS Cov-2 main protease using docking and molecular dynamic approaches

[1] Ton A-T(2020)Rapid identification of potential inhibitors of SARS-CoV-2 main protease by deep docking of 1.3 billion compounds Mol Inf 39 e2000028-4096

[2] Gentile F(2020)Potential COVID-2019 3C-like protease inhibitors designed using generative deep learning approaches ChemRxiv 281 4085-1767

[3] Hsing M(2014)From SARS to MERS: crystallographic studies on coronaviral proteases enable antiviral drug design FEBS J 300 1763-293

[4] Ban F(2003)Coronavirus main proteinase (3CLpro) structure: basis for design of anti-SARS drugs Science (New York, NY) 582 289-412

[5] Cherkasov A(2020)Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors Nature 750 137489-648

[6] Zhavoronkov A(2020)Identification of potential binders of the main protease 3CLpro of the COVID-19 via structure-based ligand design and molecular modeling Chem Phys Lett 368 409-137

[7] Aladinskiy V(2020)Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors Science (New York, NY) 372 633-1726

[8] Zhebrak A(2007)Crystal structures of two aromatic hydroxylases involved in the early tailoring steps of angucycline biosynthesis J Mol Biol 9 103-673

[9] Zagribelnyy B(1992)Angucycline group antibiotics Nat Prod Rep 74 1713-1471

[10] Terentiev V(2007)Mechanisms underlying the anticancer activities of the angucycline landomycin E Biochem Pharmacol 44 670-1480

[1] Ton A-T(2020)Rapid identification of potential inhibitors of SARS-CoV-2 main protease by deep docking of 1.3 billion compounds Mol Inf 39 e2000028-4096

[2] Gentile F(2020)Potential COVID-2019 3C-like protease inhibitors designed using generative deep learning approaches ChemRxiv 281 4085-1767

[3] Hsing M(2014)From SARS to MERS: crystallographic studies on coronaviral proteases enable antiviral drug design FEBS J 300 1763-293

[4] Ban F(2003)Coronavirus main proteinase (3CLpro) structure: basis for design of anti-SARS drugs Science (New York, NY) 582 289-412

[5] Cherkasov A(2020)Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors Nature 750 137489-648

[6] Zhavoronkov A(2020)Identification of potential binders of the main protease 3CLpro of the COVID-19 via structure-based ligand design and molecular modeling Chem Phys Lett 368 409-137

[7] Aladinskiy V(2020)Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors Science (New York, NY) 372 633-1726

[8] Zhebrak A(2007)Crystal structures of two aromatic hydroxylases involved in the early tailoring steps of angucycline biosynthesis J Mol Biol 9 103-673

[9] Zagribelnyy B(1992)Angucycline group antibiotics Nat Prod Rep 74 1713-1471

[10] Terentiev V(2007)Mechanisms underlying the anticancer activities of the angucycline landomycin E Biochem Pharmacol 44 670-1480