Document Type : Original Article

Authors

• Rahadian Zainul ^{1, 2}
• Herland Satriawan ³
• Dheo Shalsabilla Novel ^{1, 2}
• Rismi Verawati ^{1, 2}
• Amalia Putri Lubis ^{1, 2}
• Vikash Jakhmola ⁴
• Meksim Rebezov ^{5, 6}
• Syafrizal Syafrizal ⁷
• Shafique Ahmed ⁸
• Mishra Lakshmi ⁹

¹ Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, West Sumatra, Indonesia

² Center for Advanced Material Processing, Artificial Intelligence and Biophysics Informatics (CAMPBIOTICS), Universitas Negeri Padang, Indonesia

³ Institute of Ocean and Earth Sciences, University of Malaya, 50603, Kuala Lumpur, Malaysia

⁴ Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, India

⁵ Department of Scientific Research, V. M. Gorbatov Federal Research Center for Food Systems, 26 Talalikhin Str., Moscow 109316, Russia

⁶ Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, 42 Karl Liebknecht str., Yekaterinburg, 620075, Russia

⁷ Department of Animal Husbandry, Faculty of Agricultural, Universitas Tamansiswa Padang, Indonesia

⁸ Department of Biological Sciences, Faculty of Allied Health Sciences, Faculty of Allied Health Sciences, The Superior University, Lahore, Pakistan

⁹ International School of Asfendiyarov Kazakh National Medical University, Almaty, Kazakhstan

Abstract

Serotonin analgesics from banana (Musa paradisiaca) fruit have been investigated to determine potential interactions with serotonin 1 b (5-HT1b) receptors at the molecular level. The study utilized an in silico approach to predict the interaction between serotonin analgesics and receptor proteins. The research method involved the use of Pymol, MOE 2015, Discovery Studio, and Lipinski Rule software. The use of Pymol and MOE was used for visualization of the molecular structures of serotonin analgesics and receptor proteins. Discovery Studio was used to analyze the interaction between serotonin analgesic and receptor protein, which revealed the presence of binding between the two with Binding Affinity of -5.1297 and -11.1061 and RMSD of 1.7373 and 3.7057. In addition, analysis by Lipinski Rule revealed the molecular characteristics of the serotonin analgesic, including a mass of 196, no hydrogen bond donor, two hydrogen bond acceptors, a log P of 3.023, and a molar reactivity of 56.390. These results demonstrate the analgesic potential of serotonin in interacting with serotonin 1 b (5-HT1b) receptors, which may form the basis for further research in drug development related to serotonin-based pain treatment. 

Graphical Abstract

Keywords

• Serotonin analgesic
• Banana fruit (Musa paradisiaca)
• Serotonin 1 b (5-HT1b) receptor protein
• Molecular interaction
• In silico approach

Main Subjects

• Applied Chemistry
• Environmental Chemistry
• Pharmaceutical Chemistry