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Journal : Indonesian Journal of Chemistry

Clitoria ternatea Increases Milk Production in Dairy Cows by Inhibiting Dopamine Receptor D2: A Computational Study Leondro, Henny; Hadiani, Dimas Pratidina Puriastuti; Krisnaningsih, Aju Tjatur Nugroho; Lestari, Oke Anandika; Wahyudi, Didik; Gusmalawati, Dwi; Tribudi, Yuli Arif; Prihandini, Peni Wahyu
Indonesian Journal of Chemistry Vol 24, No 4 (2024)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.92920

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.
Co-Authors Agus Setiyono Agustina, Mulya Aju Tjatur Nugroho Krisnaningsih Aklisa, Seskia Amalia Nur Anggraeni, Wanda Putri Aprillia, Nelvy Regina Dwi Arif Hidayatullah Aurelia, Michelle Putri Billhaq, Sabila Meirizqina Brigita Ratna Harsanti brigitta ersa pancarwani Candra Wasis Agun CHANDRA, DEFRI ORCHIO Dewi, Yohana Kusuma Dhitasari, Rochmah Mira Didik Wahyudi Dwi Fatmawati, Dwi Dwi Gusmalawati Dwi Raharjo Dzul Fadly Emelda, Plaviana Erawati, Erawati Eva Mayasari Fabiola, Vonny Faiza, Arnida Nur Farahiyati, Lana Febrianti, Auliadini Feri Kusnandar Hadiani, Dimas Pratidina Puriastuti Hanief Dharmawan Dharmawan Hasbullah Hasbullah Ifwarisan Defri Komariyati Komariyati Komariyati Komariyati Kurniawan, Mikhael Ricky Leondro, Henny Lestari, Yessi Lucky Hartanti Lucky Hartanti, Lucky Maherawati Maherawati, Maherawati Mardiana Putri Maria Ulfa Marina, Aristawipana Mastira, Susi Musa Alfius Nabilah, Uray Ulfah Nancy Dewi Yuliana Nurmainah Nurmainah Oktaviani, Sulha Rahmi Palupi, Nurheni Sri Prihandini, Peni Wahyu purwayanti, sulvi Putri, Audy Fadzilla PUTRI, MARDIANA Rudin, Iswandi Sapta Sahid, Emif Rezqia Sakapani, Patricia Dayu Salsabhilla, Keisya Aura Sandytia Permata Sari Saputri, Gian Melinda Sari, Diah Puspita Satrijo Saloko SKD, Yohana SRI DEVI APRIANI Sri Widowati Stephanie, Akuilla Suko Priyono Surya Abi Alfariz Syafitri, Dhea Tanjung, Safrina Arsi Sekar Th. Candra Wasis Agung Sutignya Tri Rahayuni Utami, Dwi Warong, Sepiana Debora Widadi Padmarsari Soetignya Widoyo, Nurman Alif Yohana Kusuma Dewi Yohana S. Kusuma Dewi Yohana S.K. Dewi Yohana Sutiknyawati Kusuma Dewi Yohana Sutiknyawati Kusuma Dewi Yuli Arif Tribudi Zukhruf, Syaqinah Az