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Online Journal of Veterinary Research©
24(7): 407-412, 2020.
In silico docking of endophytic fungi cytoglobolosins to bovine coronavirus 3Cl4 receptor.
VN Sai Bindu Madhavi Patiballa, Ramya Bandarupalli, Anjani Gayatri Vegesena,
Rupa Sree Devi Vemuri, Kanaka Durga Devi Nelluri*
KVSR Siddhartha College of Pharmaceutical Sciences, Vijayawada, Andhra Pradesh, India. *Corresponding author
Madhavi Patiballa VN, Bandarupalli R, Vegesena AG, Devi Vemuri RS, Devi Nelluri KD., In silico docking endophytic fungi cytoglobolosins to bovine coronavirus 3Cl4 receptor, Onl J Vet Res., 24(7): 407-412, 2020. Bovine coronavirus infects upper and lower intestine and respiratory tracts in cattle inducing diarrhea and respiratory infections. One hundred secondary metabolites of marine endophytic fungi protein crystal structure were screened for In silico docking with bovine coronavirus hemagglutinin-esterase 3Cl4 receptor. We found that cytoglobosins D (8.3Kcal/mol) CID: 46209919 and C (8.2Kcal/mol) had best binding affinity to bovine coronavirus hemagglutinin-esterase 3Cl4 receptor compared with standard Darunavir (-6.6 Kcal/mmol). In vitro and in vivo tests may support therapeutic use for endophytic fungi CID: 46209919 against bovine coronavirus.
Key-words: In silico, protein binding, bovine coronavirus, hemagglutinin-esterase endophytic fungi, cytoglobosins, Darunavir.