Study of fatty acid profiles in fish wastes and in silico evaluation of unsaturated fatty acids for mutant B‐Raf kinase inhibition

Fish wastes include heads, intestines, fins, tails, and bones that are discarded in large quantity from fish processing industries. Substantial quantity of lipids and proteins can be extracted from these fish wastes to meet the dietary needs and to treat various ailments in humans. In the present study, the fish wastes of catla, rohu, and mixed fish wastes from Indian major carps are collected and analyzed for the fatty acid profile and protein content. The monounsaturated fatty acids (MUFAs) and polyunsaturated fatty acids (PUFAs) obtained are analyzed for mutant B‐Raf kinase, a protooncoprotein inhibition using PATCHDOCK, and the best docked result is analyzed with PDBsum. The results showed that the concentration of saturated fatty acid was higher than that of MUFAs and PUFAs. The protein content was 0.58 mg/ml in Sample 1, 0.55 mg/ml in Sample 2, and 2.88 mg/ml in Sample 3. The docking study showed that MUFAs and PUFAs bound in the active site of the B‐Raf kinase domain with varied nonbonded interactions that may inhibit its activity, thus showing anticancerous properties. Practical applications Fishes are one of the major sources of balanced and nutritious diet for human beings. Huge tons of Indian major carps (IMCs) are discarded as wastes from fish processing industries and commercial markets that are rich in nutritive compounds like proteins, essential fatty acids, carbohydrates, vitamins, and so forth. These wastes can be recycled and reused for many pharmacological properties. Unsaturated fatty acids were found to have beneficial properties for humans. The selected MUFAs and PUFAs from fish wastes of IMCs showed inhibition of mutant B‐Raf kinase, a protein, associated with the activation of the Ras/Raf/MEK/ERK signaling pathway leading to cancer. Thus, these compounds may be used as cancer preventive agents and the study may lead to a novel approach to design drug molecules with nonbonded interactions in the protein–lipid interface. Fish wastes are rich in nutrients that can be extracted to meet the dietary needs in humans. Catla, rohu, and mixed fish wastes are analyzed for the fatty acid profile and protein content. The results showed that the saturated fatty acid was in higher concentration. The monounsaturated fatty acids and polyunsaturated fatty acids obtained are analyzed for mutant B‐Raf kinase inhibition using PATCHDOCK. They bound in the active site of the target with varied nonbonded interactions that may have anticancer activity.