Clitoria ternatea  Increases Milk Production in Dairy Cows by Inhibiting Dopamine Receptor D2: A Computational Study

Henny Leondro; Dimas Pratidina Puriastuti Hadiani; Aju Tjatur Nugroho Krisnaningsih; Oke Anandika Lestari; Didik Wahyudi; Dwi Gusmalawati; Yuli Arif Tribudi; Peni Wahyu Prihandini

doi:10.22146/ijc.92920

Clitoria ternatea Increases Milk Production in Dairy Cows by Inhibiting Dopamine Receptor D2: A Computational Study

https://doi.org/10.22146/ijc.92920

Henny Leondro^(1*), Dimas Pratidina Puriastuti Hadiani⁽²⁾, Aju Tjatur Nugroho Krisnaningsih⁽³⁾, Oke Anandika Lestari⁽⁴⁾, Didik Wahyudi⁽⁵⁾, Dwi Gusmalawati⁽⁶⁾, Yuli Arif Tribudi⁽⁷⁾, Peni Wahyu Prihandini⁽⁸⁾

(1) Faculty of Animal Science, Universitas PGRI Kanjuruhan, Jl. S. Supriadi, Malang 65148, Indonesia
(2) Faculty of Animal Science, Universitas PGRI Kanjuruhan, Jl. S. Supriadi, Malang 65148, Indonesia
(3) Faculty of Animal Science, Universitas PGRI Kanjuruhan, Jl. S. Supriadi, Malang 65148, Indonesia
(4) Department of Food Science and Technology, Faculty of Agriculture, Universitas Tanjungpura, Jl. Prof. Hadari Nawawi, Pontianak 78121, Indonesia
(5) Department of Biology, Faculty of Science and Technology, Universitas Islam Negeri Maulana Malik Ibrahim Malang, Jl. Gajayana No. 50, Malang 65144, Indonesia
(6) Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Tanjungpura, Jl. Prof. Hadari Nawawi, Pontianak 78121, Indonesia
(7) Department of Animal Science, Faculty of Agriculture, Universitas Tanjungpura, Jl. Prof. Hadari Nawawi, Pontianak 78121, Indonesia
(8) Research Center for Animal Husbandry, Research Organization for Agriculture and Food, National Research and Innovation Agency, Cibinong, Jl. Raya Jakarta Bogor, Bogor 16911, Indonesia
(*) Corresponding Author

Abstract

Dairy cow's milk is a primary commodity in various countries and increasing milk production in dairy cows is crucial. Clitoria ternatea has the potential to enhance milk production in dairy cows. This research aims to analyze C. ternatea's ability to induce milk production in dairy cows by targeting the DRD2 protein. The compounds within C. ternatea were screened for drug-likeness, toxicity, physicochemical properties, and membrane permeability parameters. The DRD2 protein in dairy cattle was modeled using homology modeling. The interaction stability between C. ternatea compounds and DRD2 was analyzed through molecular docking and dynamic using AutoDock Vina and Webgro. The study results revealed that among the 18 compounds, 5 passed the drug-likeness screening: citronellal, alpha-terpinolene, 15-methyxypaysine, allyl-crotyl-zinc, and 9,12-octadecadiynoic. These 5 compounds exhibited low toxicity and demonstrated easy penetration of lipid membranes. Molecular docking results indicated that citronellal and alpha-terpinolene had the lowest binding energy values and were bound to the inhibitor's side. Molecular dynamic simulations also confirmed the stability of the interaction between citronellal and alpha-terpinolene with DRD2. In conclusion, this research suggests that C. ternatea can potentially increase milk production in dairy cows by inhibiting the DRD2 protein, primarily through citronellal and alpha-terpinolene.

Keywords

Clitoria ternatea; dairy cow; DRD2; milk

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DOI: https://doi.org/10.22146/ijc.92920