Repurposing of FDA Approved Alkaloids as COVID 19 Inhibitors; in silico Studies
نویسندگان
چکیده
Background: Alkaloid drugs were permitted for using as a treatment of numerous diseases. Colchicine, codeine, piperine, papaverine, ergometrine, theophylline, theobromine and caffeine are recognized safe alkaloids used many human disfunctions. The chemical structures have flexible moieties with various electronic characters. COVID-19 is horrible disease result from that the discovering potent previously FDA approved main objective this study. Methods: docking studies interactions protease proteins. nature selected was utilized advance insights to predict new medical applications. Results: Docking completed obtained outcomes, displayed all tried great attraction five proteins, energy score ranged -2.9516 (for colchicine 5R82) -24.7449 ergotamine 5R80) kcal/mol 1-5 variable bond. Conclusion: Among tested drugs, papaverine ergometrine revealed high scores proteins (score from, -14.1058 23.1619 and, -4.7900 24.7449 ergometrine) number two three but five.
منابع مشابه
FDA approved drugs repurposing of Toll-like receptor4 (TLR4) candidate for neuropathy
Accumulating evidence indicates that toll-like receptor 4 (TLR4) plays a critical role in promoting adaptive immune responses and are definitively involved in the expansion and maintenance of the neuropathic pain. However, the application of docking in virtual-screening in silico methods to drug discovery has some challenge but it allows us to make the directed and meaningful design of drugs fo...
متن کاملRepurposing of FDA-approved drugs against cancer – focus on metastasis
in the field of anti-cancer drug development. Drug repurposing may allow progressing through the drug development process more quickly as well as reducing project costs compared to traditional de novo drug discovery. One of the main reasons why a non-cancer drug may prove effective against cancer is that not all of its biological targets may have been identified when the drug was originally dev...
متن کاملRepurposing FDA-approved drugs to combat drug-resistant Acinetobacter baumannii.
OBJECTIVE The rising occurrence of drug-resistant pathogens accentuates the need to identify novel antibiotics. We wanted to identify new scaffolds for drug discovery by repurposing FDA-approved drugs against Acinetobacter baumannii, an emerging Gram-negative nosocomial drug-resistant pathogen. MATERIALS AND METHODS In this study, we screened 1040 FDA-approved drugs against drug-susceptible A...
متن کاملFDA approved drugs repurposing of Toll-like receptor4 (TLR4) candidate for neuropathy
Accumulating evidence indicates that toll-like receptor 4 (TLR4) plays a critical role in promoting adaptive immune responses and are definitively involved in the expansion and maintenance of the neuropathic pain. However, the application of docking in virtual-screening in silico methods to drug discovery has some challenge but it allows us to make the directed and meaningful design of drugs fo...
متن کاملMolecular docking study of anti-viral FDA-approved drugs as novel entry and replication Ebola viral inhibitors
Background & Objective: Because of the reported high ability of virulence and the lack of appropriate drug of Ebola virus during the last decades, many investigations have been accomplished regarding discovery and the introduction of anti-Ebola drugs. The aim of this research was the bioinformatical study of entry and replication of Ebola viral inhibition by drug repurposing. Materials & Method...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Pharmacognosy Journal
سال: 2021
ISSN: ['0975-3575']
DOI: https://doi.org/10.5530/pj.2021.13.16