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| DOI | 10.1007/S11655-021-3504-5 | ||||
| Año | 2022 | ||||
| Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
Objective To explore potential natural products against severe acute respiratory syndrome coronavirus (SARS-CoV-2) via the study of structural and non-structural proteins of human coronaviruses. Methods In this study, we performed an in-silico survey of 25 potential natural compounds acting against SARS-CoV-2. Molecular docking studies were carried out using compounds against 3-chymotrypsin-like protease (3CL(PRO)), papain-like protease (PLPRO), RNA-dependent RNA polymerase (RdRp), non-structural protein (nsp), human angiotensin converting enzyme 2 receptor (hACE2R), spike glycoprotein (S protein), abelson murine leukemia viral oncogene homolog 1 (ABL1), calcineurin-nuclear factor of activated T-cells (NFAT) and transmembrane protease serine 2. Results Among the screened compounds, amentoflavone showed the best binding affinity with the 3CL(PRO), RdRp, nsp13, nsp15, hACE2R. ABL1 and calcineurin-NFAT; berbamine with hACE2R and ABL1; cepharanthine with nsp10, nsp14, nsp16, S protein and ABL1; glucogallin with nsp15; and papyriflavonol A with PLPRO protein. Other good interacting compounds were juglanin, betulinic acid, betulonic acid, broussooflavan A, tomentin A, B and E, 7-methoxycryptopleurine, aloe emodin, quercetin, tanshinone I, tylophorine and furruginol, which also showed excellent binding affinity towards a number of target proteins. Most of these compounds showed better binding affinities towards the target proteins than the standard drugs used in this study. Conclusion Natural products or their derivatives may be one of the potential targets to fight against SARS-CoV-2.
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | Hossain, Rajib | - |
Bangabandhu Sheikh Mujibur Rahman Sci & Technol U - Bangladesh
Bangabandhu Sheikh Mujibur Rahman Science and Technology University - Bangladesh |
| 2 | Sarkar, Chandan | Hombre |
Bangabandhu Sheikh Mujibur Rahman Sci & Technol U - Bangladesh
Bangabandhu Sheikh Mujibur Rahman Science and Technology University - Bangladesh |
| 3 | Hassan, Shardar Mohammad Hafiz | - |
Bangabandhu Sheikh Mujibur Rahman Sci & Technol U - Bangladesh
Bangabandhu Sheikh Mujibur Rahman Science and Technology University - Bangladesh |
| 4 | Khan, Rasel Ahmed | - |
Khulna Univ - Bangladesh
Khulna University - Bangladesh |
| 5 | Arman, Mohammad | Hombre |
Int Islamic Univ - Bangladesh
International Islamic University Chittagong - Bangladesh |
| 6 | Ray, Pranta | - |
Huazhong Univ Sci & Technol - China
Huazhong University of Science and Technology - China |
| 7 | Islam, Muhammad Torequl | Hombre |
Bangabandhu Sheikh Mujibur Rahman Sci & Technol U - Bangladesh
Bangabandhu Sheikh Mujibur Rahman Science and Technology University - Bangladesh |
| 8 | Dastan, Sevgi Durna | Mujer |
Sivas Cumhuriyet Univ - Turquía
Cumhuriyet Üniversitesi - Turquía |
| 9 | Sharifi-Rad, Javad | Hombre |
Univ Azuay - Ecuador
Universidad del Azuay - Ecuador |
| 10 | Almarhoon, Zainab M. | Mujer |
King Saud Univ - Arabia Saudí
College of Sciences - Arabia Saudí |
| 11 | MARTORELL-PONS, MIQUEL | Hombre |
Universidad de Concepción - Chile
|
| 12 | Setzer, William N. | Hombre |
UNIV ALABAMA - Estados Unidos
Aromat Plant Res Ctr - Estados Unidos The University of Alabama in Huntsville - Estados Unidos Aromatic Plant Research Center - Estados Unidos |
| 13 | Calina, Daniela | Mujer |
Univ Med & Pharm Craiova - Rumania
Universitatea de Medicina si Farmacie din Craiova - Rumania |