Abstract:
Nigella sativa is a plant that has been traditionally used to treat a variety of illnesses, including viral infections as it has numerous medicinal and antiviral properties. Its extracts had been proved beneficial to cure diseases for ages due to its beneficial phytochemicals. Monkeypox virus (MPXV) is a pathogen with a broad host range that can be transmitted from one person to another through direct contact with infected material or respiratory secretions. As a result of its rapid spread, effective treatments to combat this virus has become a serious concern. We used different phytochemicals of Nigella sativa and conducted an in-silico study to determine the potential efficacy of them as one possible solution is to investigate the use of natural compounds derived from plants to inhibit the virus replication cycle. This study focused on identifying specific phytochemicals that could disrupt the virus replication cycle by targeting two essential proteins, thymidylate kinase (TMPK) and D9 decapping enzyme, which play critical roles in viral replication. Various in-silico techniques, including molecular docking and pharmacokinetic evaluations, were used to identify phytochemicals that interacted with those proteins with different binding energy values ranging from -9.8 to -3.6 Kcal/Mol which showed that several phytochemicals could have the potential to inhibit the replication of the monkeypox which could disturb the normal function of its proteins but by further pharmacokinetic evaluations we found two phytochemicals i.e., tyrosine and nigellidine which exhibited favorable lipophilicity, polarity, size, solubility, flexibility and saturation values making them promising candidates for further drug development for monkeypox. These findings provided valuable insights into the use of natural compounds of Nigella sativa as potential viral drugs to prevent and treat monkeypox virus disease.
Page(s):
146-146
DOI:
DOI not available
Published:
Journal: Abstract Book on Second International Conference on Recent Approaches in Plant Sciences (RAPS-23) 4-5 May 2023 , Volume: 0, Issue: 0, Year: 2023
Keywords:
Nigella sativa
,
Insilico
,
Monkeypox
,
D9 decapping Enzyme
,
TMPK