Supplementary Material - LSM e JW - 22.09.2021.docx (5.87 MB)

Supplementary material. Diaminomaleonitrile derivatives as new potentials antichagasic compounds: a study of structure-activity relationships

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posted on 2021-11-01, 10:04 authored by Aldo Oliveira, Lucas Mello, Camila Ogihara, Thiago Doring, David Palomino-Salcedo, Simone Duarte, Leonardo Ferreira, Julia Souza, Maria Dávila-Rodríguez, Jose da Cruz Junior, Edward Dockal, Adriano Andricopulo

Figure S1. Infrared Spectra (CsI - 4000-240 cm-1) for 1.

Figure S2. Infrared Spectra (CsI - 4000-240 cm-1) for 2.

Figure S3. Infrared Spectra (CsI - 4000-240 cm-1) for 3.

Figure S4. Infrared Spectra (CsI - 4000-240 cm-1) for 4.

Figure S5. Infrared Spectra (CsI - 4000-240 cm-1) for 5.

Figure S6. Infrared Spectra (CsI - 4000-240 cm-1) for 6.

Figure S7. Infrared Spectra (CsI - 4000-240 cm-1) for 7.

Figure S8. Infrared Spectra (CsI - 4000-240 cm-1) for 8

Figure S9. Infrared Spectra (CsI - 4000-240 cm-1) for 9.

Figure S10. Infrared Spectra (CsI - 4000-240 cm-1) for 10.

Figure S11. Infrared Spectra (CsI - 4000-240 cm-1) for 11.

Figure S12. Infrared Spectra (CsI - 4000-240 cm-1) for 12.

Figure S13. Infrared Spectra (CsI - 4000-240 cm-1) for 13.

Figure S14. Infrared Spectra (CsI - 4000-240 cm-1) for 14.

Figure S15. Infrared Spectra (CsI - 4000-240 cm-1) for 15.

Figure S16. Infrared Spectra (CsI - 4000-240 cm-1) for 16.

Figure S17. Infrared Spectra (CsI - 4000-240 cm-1) for 17.

Figure S18. Infrared Spectra (CsI - 4000-240 cm-1) for 18.

Figure S19. Infrared Spectra (CsI - 4000-240 cm-1) for 19.

Figure S20. Infrared Spectra (CsI - 4000-240 cm-1) for 20.

Figure S21. Infrared Spectra (CsI - 4000-240 cm-1) for 21.

Figure S22. Infrared Spectra (CsI - 4000-240 cm-1) for 22.

Figure S23. Infrared Spectra (CsI - 4000-240 cm-1) for 23.

Figure S24. Infrared Spectra (CsI - 4000-240 cm-1) for 24.

Figure S25. Infrared Spectra (CsI - 4000-240 cm-1) for 25

Figure S26. Infrared Spectra (CsI - 4000-240 cm-1) for 26.

Figure S27. Infrared Spectra (CsI - 4000-240 cm-1) for 27.

Figure S28. 1H NMR spectrum (400 MHz, DMSO-d6) of 1.

Figure S29. 13C NMR spectrum (100 MHz, DMSO-d6) of 1.

Figure S30. 1H NMR spectrum (400 MHz, DMSO-d6) of 2.

Figure S31. 13C NMR spectrum (100 MHz, DMSO-d6) of 2.

Figure S32. 1H NMR spectrum (400 MHz, DMSO-d6) of 3.

Figure S33. 13C NMR spectrum (100 MHz, DMSO-d6) of 3.

Figure S34. 1H NMR spectrum (400 MHz, DMSO-d6) of 4.

Figure S35. 13C NMR spectrum (100 MHz, DMSO-d6) of 4

Figure S36. 1H NMR spectrum (400 MHz, DMSO-d6) of 5.

Figure S37. 13C NMR spectrum (100 MHz, DMSO-d6) of 5.

Figure S38. 1H NMR spectrum (400 MHz, DMSO-d6) of 6.

Figure S39. 13C NMR spectrum (100 MHz, DMSO-d6) of 6.

Figure S40. 1H NMR spectrum (400 MHz, DMSO-d6) of 7

Figure S41. 3C NMR spectrum (100 MHz, DMSO-d6) of 7.

Figure S42. 1H NMR spectrum (400 MHz, DMSO-d6) of 8.

Figure S43. 13C NMR spectrum (100 MHz, DMSO-d6) of 8.

Figure S44. 1H NMR spectrum (400 MHz, DMSO-d6) of 9.

Figure S45. 13C NMR spectrum (100 MHz, DMSO-d6) of 9.

Figure S46. 1H NMR spectrum (400 MHz, DMSO-d6) of 10.

Figure S47. 13C NMR spectrum (100 MHz, DMSO-d6) of 10.

Figure S48. 1H NMR spectrum (400 MHz, DMSO-d6) of 11.

Figure S49. 13C NMR spectrum (100 MHz, DMSO-d6) of 11.

Figure S50. 1H NMR spectrum (400 MHz, DMSO-d6) of 12.

Figure S51. 13C NMR spectrum (100 MHz, DMSO-d6) of 12.

Figure S52. 1H NMR spectrum (400 MHz, DMSO-d6) of 13

Figure S53. 13C NMR spectrum (100 MHz, DMSO-d6) of 13

Figure S54. 1H NMR spectrum (400 MHz, DMSO-d6) of 14

Figure S55. 13C NMR spectrum (100 MHz, DMSO-d6) of 14

Figure S56. 1H NMR spectrum (400 MHz, DMSO-d6) of 15

Figure S57. 13C NMR spectrum (100 MHz, DMSO-d6) of 15

Figure S58. 1H NMR spectrum (400 MHz, DMSO-d6) of 16

Figure S59. 13C NMR spectrum (100 MHz, DMSO-d6) of 16

Figure S60. 1H NMR spectrum (400 MHz, DMSO-d6) of 17

FigureS 61. 13C NMR spectrum (100 MHz, DMSO-d6) of 17

Figure S62. 1H NMR spectrum (400 MHz, DMSO-d6) of 18

Figure S63. 13C NMR spectrum (100 MHz, DMSO-d6) of 18

Figure S64. 1H NMR spectrum (400 MHz, DMSO-d6) of 19

Figure S65. 13C NMR spectrum (100 MHz, DMSO-d6) of 19

Figure S66. 1H NMR spectrum (400 MHz, DMSO-d6) of 20

Figure S67. 13C NMR spectrum (100 MHz, DMSO-d6) of 20

Figure S68. 1H NMR spectrum (400 MHz, DMSO-d6) of 21

Figure S69. 13C NMR spectrum (100 MHz, DMSO-d6) of 21

Figure S70. 1H NMR spectrum (400 MHz, DMSO-d6) of 22.

Figure S71. 13C NMR spectrum (100 MHz, DMSO-d6) of 22.

Figure S72. 1H NMR spectrum (400 MHz, DMSO-d6) of 23

Figure S73. 13C NMR spectrum (100 MHz, DMSO-d6) of 23.

Figure S74. 1H NMR spectrum (400 MHz, DMSO-d6) of 24.

Figure S75. 13C NMR spectrum (100 MHz, DMSO-d6) of 24.

Figure S76. 1H NMR spectrum (400 MHz, DMSO-d6) of 25

Figure S77. 13C NMR spectrum (100 MHz, DMSO-d6) of 25

Figure S78. 1H NMR spectrum (400 MHz, DMSO-d6) of 26.

Figure S79. 13C NMR spectrum (100 MHz, DMSO-d6) of 26

Figure S80. 1H NMR spectrum (400 MHz, DMSO-d6) of 27

Figure S81. 13C NMR spectrum (100 MHz, DMSO-d6) of 27

Funding

National Council for Scientiﬁc and Technological Development (CNPq), the Coordination for the Improvement of Higher Education Personnel (CAPES, Finance code 001), and the Sao Paulo Research Foundation (FAPESP, CIBFar grant 2013/07600-3 and 2015/06392-3), Brazil

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Diaminomaleonitrile derivatives as new potentials antichagasic compounds: a study of structure-activity relationships

Future Medicinal Chemistry

Keywords

cruzain diaminomaleonitrile Chagas disease QSAR molecular docking Biochemistry and Cell Biology not elsewhere classified Virology Infectious Diseases

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