Open AccessPrediction of novel natural inhibitors of avian coccidia (Eimeria tenella) through molecular docking
Author(s) -
Manei M. Aljedaie,
Pravej Alam Sabdur Husain,
Esam S. Al-Malki
Publication year - 2022
Publication title -
tropical journal of pharmaceutical research
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.209
H-Index - 36
eISSN - 1596-5996
pISSN - 1596-9827
DOI - 10.4314/tjpr.v20i7.17
Subject(s) - coccidia , docking (animal) , eimeria , in silico , quercetin , apigenin , rutin , biology , biochemistry , chemistry , flavonoid , microbiology and biotechnology , veterinary medicine , medicine , parasite hosting , world wide web , computer science , gene , antioxidant
Purpose: To identify some natural molecules (inhibitors) against avian coccidia (Eimeria tenella) through molecular docking in order to find the candidate drugs for poultry industry.
Methods: The natural compounds, 6’-de-O-acetylcupacinoside, apigenin, artemisinin, cupacinoside, quercetin and rutin, were screened on the basis of previous research data. These biomolecules were selected as potent inhibitors based on extant literature on calcium-dependent protein kinases (CDPKs) in Eimeria tenella.
Results: All the compounds showed good interactions with 6’-de-O-acetylcupacinoside. Based on docking studies, quercetin produced the best interaction, with a binding energy of -7.04 kcal/mol, when compared to the other compounds.
Conclusions: Based on these in silico results, the screened compounds have great potential for use against E. tenella. In particular, the results suggest that quercetin may be beneficial in the control of avian coccidia through its strong inhibitory potential on CDPKs of E. tenella.