International Journal on Science and Technology

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Docking studies between Natural unsaturated Oleic-acid and a de novo lung cancer peptide of CHRNA3 (Cholinergic Receptor Nicotinic Alpha 3) using Insilico protocols

Author(s) Aadya. LN
Country India
Abstract Abstract
Lung cancer, according to current clinical pharmacological studies, is among the most prevalent types of cancer. Polymorphisms in CHRNA3 gene have been associated with an increased risk of smoking initiation and an increased susceptibility to lung cancer. In the current Insilico study, there were two major findings. First, the novel 3D peptide was designed from the genomic sequence of CHRNA3. Next, we observe how Oleic acid interacts with the derived cancer peptide using Insilico tools. The exonic sequence of CHRNA3 was converted into a protein sequence which subject to peptide designing using immuno-medicine protocols. The peptide was modelled using an automated homology modelling server. The binding affinities between the control drug, 5-Fluorouracil and the test compound, Oleic-acid with CHRNA3 can be found using CB Dock, an automated drug docking server. The docking results clearly elucidated that when compared to the existing anti-cancer drug, 5-flourouracil, Oleic acid showed a higher binding affinity with CHRNA3. Hence, Oleic acid can be added as a supplementary drug to existing drugs to enhance their efficiency. Oleic acid, being a natural compound, one can expect lesser side-effects. Our 3D novel peptide structure will be available in PDB-Dev (https://www.modelarchive.org/doi/10.5452/ma-m1plw). Our study clearly revealed that Oleic acid is a potential therapeutic agent for Lung Carcinoma.
Keywords Keywords: CHRNA3 (Cholinergic Receptor Nicotinic Alpha 3), Oleic-acid, Drug Docking.
Published In Volume 16, Issue 1, January-March 2025
Published On 2025-01-18
Cite This Docking studies between Natural unsaturated Oleic-acid and a de novo lung cancer peptide of CHRNA3 (Cholinergic Receptor Nicotinic Alpha 3) using Insilico protocols - Aadya. LN - IJSAT Volume 16, Issue 1, January-March 2025. DOI 10.71097/IJSAT.v16.i1.1443
DOI https://doi.org/10.71097/IJSAT.v16.i1.1443
Short DOI https://doi.org/g82pbv
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