Calotropin from milk of Calotropis gigantean a potent inhibitor of COVID 19 corona virus infection by Molecular docking studies
SARS-CoV-2 (COVID-19), a positive single stranded RNA virus, member of corona virus family, is spreading its tentacles across the world due to lack of drugs at present. Being associated with cough, fever, and respiratory distress, this disease caused more than 15 % mortality worldwide. Due to its vital role in virus replication, Mpro/3CLpro has recently been regarded as a suitable target for drug design. The current study focused on the inhibitory activity of Calotropin, a component from milk of Calotropis gigantean, against Mpro protein from SARS-CoV-2. Till date there is no work is undertaken on in-silico analysis of this compound against Mpro of COVID-19 protein. In the present study, molecular docking studies were conducted by using Patchdock tool. Protein Interactions tool was used for protein interactions. The calculated parameters such as docking score indicated effective binding of Calotropin to Mpro protein. Interactions results indicated that, Mpro/ Calotropin complexes forms hydrophobic interactions. Therefore, Calotropin may represent potential herbal treatment to act as COVID-19 Mpro inhibitor. However, further research is necessary to investigate their potential medicinal use.
Code (0)
등록된 구현이 없습니다.
Tasks
Drug DesignMolecular DockingSimilar Papers 제목 키워드 기반
Estimation of economic losses due to milk fever and efficiency gains if prevented: evidence from Haryana, India
Calcium (Ca) requirement increases tenfold upon parturition in dairy cows & buffaloes and its deficiency leads to a condition called milk fever (MF). Estimation of losses is necessary to understand the depth of the probl…
Visible and Hyperspectral Imaging for Quality Assessment of Milk: Property Characterisation and Identification
Rapid and non-destructive assessment of milk quality is crucial to ensuring both nutritional value and food safety. In this study, we investigated the potential of visible and hyperspectral imaging as cost-effective and …
Non-Destructive Quantification of Urea Adulteration in Bovine Milk Using Transmittance Multispectral Imaging
Adulteration of bovine milk using urea remains a major food quality and health concern, motivating the development of rapid and quantitative screening tools. Conventional approaches, including laboratory-based analytical…
Review: dual benefits, compositions, recommended storage, and intake duration of mother's milk
Breastfeeding benefits both infants and mothers. Nutrients in mother's milk help protect infants from multiple diseases including infections, cancers, diabetes, gastrointestinal and respiratory diseases. We performed lit…
Literature MiningPrevention Is Better Than Cure: Experimental Evidence From Milk Fever Incidence in Dairy Animals of Haryana, India
Calcium deficiency in high yielding bovines during calving causes milk fever which leads to economic losses of around INR 1000 crores (USD 137 million) per annum in Haryana, India. With increasing milk production, the ri…
valid