Abstract:

The present study reports in silico investigation of bioactive compounds from marine microalgae capable of escalating copepod fecundity potential through enhanced heat shock protein (HSP-70) production. The structure of ligand (bioactive compounds from microalgae) and hsp-70 obtained from the databases of PubChem and Protein Data Bank (PDB), respectively. Molecular Docking was performed by GOLD software and ligand interaction pathways using web server MANORAA. Fourteen bioactive compounds showed good biding interaction with specific protein HSP-70 and seven of these compounds showed high hydrogen bond interaction with key amino acids (phenylalanine, tyrosine and tryptophan). The highest binding energy of 50.21 is recorded in the bioactive compound, arachidonic acid from the red alga Porphyridium cruentum TYR 167 involved in the biosynthesis pathway of phenylalanine, tyrosine and tryptophan also showed specific target site of tryptophan synthase (4.2.1.20). Results suggest with P. cruentum feed copepod culture could boost their fecundity leading to high density culture.

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