Tianeptine Sodium Liquid is a liquid form of Tianeptine Sodium Salt, mainly composed of its sodium salt form, which has pharmacological effects such as antidepressant and anti anxiety. Liquid dosage forms, compared to solid tablets or capsules, may have faster absorption rates and higher bioavailability, and are easier to adjust dosage, especially suitable for children, the elderly, or patients with swallowing difficulties.
It improves depressive symptoms by regulating neurotransmitters in the brain, such as glutamate and gamma aminobutyric acid (GABA). It is different from traditional antidepressants such as selective serotonin reuptake inhibitors (SSRIs), but works by affecting neural plasticity and the glutamatergic system. Clinical studies have shown that tianeptin sodium exhibits good therapeutic effects on various types of depression, including endogenous depression, reactive depression, and neurotic depression.
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Additional information of chemical compound:
| Product Name | Tianeptine Sodium Powder | Tianeptine Sodium Tablet | Tianeptine Sodium Capsules |
| Product Type | Powder | Tablet | Capsules |
| Product Purity | ≥99% | ≥99% | ≥99% |
| Product Specifications | 100g/1kg/etc. | 12.5mg | 12.5mg |
| Product Form | Organic synthesis | Take Orally | Take Orally |
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Tianeptine Sodium COA
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| Certificate of Analysis | ||
| Compound name | Tianeptine sodium salt | |
| Grade | Pharmaceutical grade | |
| CAS No. | 30123-17-2 | |
| Quantity | Customize | |
| Packaging standard | Customize | |
| Manufacturer | Shaanxi BLOOM TECH Co., Ltd | |
| Lot No. | 202501090032 | |
| MFG | Jan 9th 2025 | |
| EXP | Jan 8th 2028 | |
| Structure |  |
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| Item | Enterprise standard | Analysis result |
| Appearance | White or almost white powder | Conformed |
| Water content | ≤5.0% | 0.38% |
| Loss on drying | ≤1.0% | 0.28% |
| Heavy Metals | Pb≤0.5ppm | N.D. |
| As≤0.5ppm | N.D. | |
| Hg≤0.5ppm | N.D. | |
| Cd≤0.5ppm | N.D. | |
| Purity (HPLC) | ≥99.0% | 99.80% |
| Single impurity | <0.8% | 0.41% |
| Total microbial count | ≤750cfu/g | 70 |
| E. Coli | ≤2MPN/g | N.D. |
| Salmonella | N.D. | N.D. |
| Ethanol (by GC) | ≤5000ppm | 400ppm |
| Storage | Store in a sealed, dark, and dry place below 2-8°C | |
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Molecular docking simulation of Tianeptine Sodium Liquid with Nav1.8 channel in crustaceans
Tianeptine Sodium Liquid, as a compound with specific pharmacological activity, has received widespread attention in the fields of medicine and biology. It exhibits a unique role in regulating nervous system function, but there is relatively little research on its effects on non target organisms such as crustaceans. Nav1.8 channel is an important member of the voltage-gated sodium channel family, playing a crucial role in physiological processes such as nerve conduction and sensory perception in crustaceans. Studying the interaction between Tianeptine Sodium Liquid and the Nav1.8 channel in crustaceans can help to gain a deeper understanding of the mechanism by which this compound affects the nervous system of crustaceans, providing theoretical support for assessing its potential risks in the ecological environment and developing drugs for crustacean related diseases.
Overview of Tianeptine Sodium Liquid and Nav1.8 Channels
Tianeptine Sodium is a tricyclic antidepressant with a unique mechanism of action that differs from traditional antidepressants. It mainly exerts antidepressant and anti anxiety effects by regulating the neurotransmitter system in the brain, especially the glutamatergic and gamma aminobutyric acid (GABA) systems. Tianeptine Sodium Liquid, as its liquid dosage form, has advantages such as fast absorption and flexible dosage adjustment, making it easy to use in research and application. In terms of pharmacokinetics, it can be rapidly absorbed by the gastrointestinal tract and distributed to various tissues and organs, including the nervous system, after entering the bloodstream.
Functions of Nav1.8 channel in crustaceans
Nav1.8 channels belong to voltage-gated sodium channels and are widely expressed on the neural cell membrane of crustaceans. It plays a crucial role in the generation and transmission of neural impulses. When nerve cells are stimulated, Nav1.8 channels open, allowing sodium ions to flow inward, causing depolarization of the cell membrane and triggering the generation of action potentials. Compared with other voltage-gated sodium channels, Nav1.8 channel has unique electrophysiological characteristics, such as a slower inactivation rate, which makes it play an important role in sustained neural activity, such as pain signal transduction. In the sensory system of crustaceans, Nav1.8 channels are involved in the perception and transmission of various environmental stimuli, including mechanical and chemical stimuli.
Principles and Methods of Molecular Docking Simulation
Molecular docking simulation is a method based on computer technology for studying intermolecular interactions. The basic principle is to simulate the interaction between small molecule ligands (such as drug molecules) and large molecule receptors (such as protein channels) to find the optimal conformation and binding site for ligand receptor binding. In this process, various interaction factors such as geometric complementarity between molecules, electrostatic interactions, van der Waals forces, hydrogen bonds, etc. were considered, and the stability and affinity of the binding were evaluated by calculating the interaction energy between molecules.
Simulation software and database selection
This study used AutoDock Vina software for molecular docking simulation. AutoDock Vina is a widely used open-source molecular docking software with high accuracy and computational efficiency. It adopts advanced scoring functions and search algorithms, which can quickly and accurately predict the binding mode and affinity of ligands and receptors. In terms of database, the molecular structure of Tianeptine Sodium Liquid was obtained from the PubChem database, which provides detailed structural information of a large number of compounds. The three-dimensional structural model of the Nav1.8 channel in crustaceans was constructed using homology modeling methods, using known homologous protein structures as templates and generated using software such as Modeller.
Simulation steps
Preparation of receptors and ligands:For the Nav1.8 channel receptor model, energy minimization is first performed to eliminate unreasonable conformations and stresses in the structure. Use molecular dynamics simulation software such as GROMACS to optimize energy under appropriate force fields (such as CHARMM force field). For Tianeptine Sodium ligand molecules, energy minimization treatment is also performed to ensure that they are in the most stable conformation. At the same time, Gasteiger charges are added to the ligand molecules to accurately calculate the electrostatic interactions between molecules.
Docking Box Settings:Determine the position and size of the docking box based on the structural characteristics of Nav1.8 channel and known ligand binding site information. The docking box should cover the possible key binding areas to ensure that the optimal binding mode between the ligand and receptor can be found. Generally speaking, the size of the docking box is set to be sufficient to accommodate ligand molecules and leave some space in various directions for the ligand to freely rotate and adjust its conformation.
Docking parameter settings:Set docking parameters in AutoDock Vina, including search algorithm parameters, scoring function weights, etc. Using genetic algorithm for global search, setting appropriate population size and iteration times to ensure sufficient search of the binding space between ligands and receptors. At the same time, adjust the weights of the interaction energies in the scoring function to accurately evaluate the stability of the combination.
Docking simulation operation:Input the prepared receptor and ligand files, as well as the set docking parameters, into AutoDock Vina software and run the molecular docking simulation program. During the simulation process, the software will perform multiple independent docking attempts based on the set parameters, and each attempt will generate a possible binding conformation and corresponding binding energy.
Result Analysis and Evaluation:After completing the docking simulation, analyze and evaluate the generated results. Firstly, sort the different binding conformations based on their binding energy, and select the conformation with the lowest binding energy as the most likely binding mode. Then, molecular visualization software such as PyMOL was used to visualize and analyze the binding modes, observing the interactions between ligands and receptors, including hydrogen bonding, hydrophobic interactions, electrostatic interactions, etc. Meanwhile, calculate binding affinity and other indicators to further evaluate the strength and stability of the binding.
Simulation result analysis
Combining Mode Analysis
The optimal binding mode between Tianeptine Sodium Liquid and the Nav1.8 channel in crustaceans was obtained through molecular docking simulation. Visual analysis shows that Tianeptine Sodium molecules can be well embedded into the binding pocket of Nav1.8 channel and interact with multiple amino acid residues in the channel. It mainly involves various forces such as hydrogen bonding, hydrophobic interactions, and electrostatic interactions. For example, a hydroxyl group in Tianeptine Sodium molecule forms a hydrogen bond with a serine residue in the Nav1.8 channel, which helps stabilize the binding of the ligand to the receptor. At the same time, the non-polar part of Tianeptine Sodium interacts with the hydrophobic region of the channel, further enhancing the stability of the binding.
Analysis of Interaction Forces
Detailed analysis of the interaction forces between Tianeptine Sodium and Nav1.8 channels. In addition to the hydrogen bonding and hydrophobic interactions mentioned above, there are also electrostatic interactions. The charged groups in Tianeptine Sodium molecules generate electrostatic attraction with the opposite charged amino acid residues on the Nav1.8 channel surface, which guides the binding of ligands and receptors over long distances. By calculating the contribution of different interaction forces to the total binding energy, it was found that hydrogen bonding and hydrophobic interactions play a major role in the binding process, while electrostatic interactions assist and stabilize the binding to a certain extent.
Combined affinity assessment
Evaluate the binding affinity between Tianeptine Sodium and Nav1.8 channel based on the binding energy data obtained from molecular docking simulation. The lower the binding energy, the more stable the binding between the ligand and the receptor, and the higher the binding affinity. By comparing the binding energies of known ligands with high affinity to Nav1.8 channels, it is preliminarily determined that Tianeptine Sodium has a certain binding affinity to Nav1.8 channels. This suggests that Tianeptine Sodium may interact with Nav1.8 channels, thereby affecting their functionality.
Frequently Asked Questions
What is tianeptine sodium used for?
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Tianeptine is a medicine available for use in some European, Asian and South American countries to treat anxiety, depression and irritable bowel syndrome. In other countries, including the U.S., tianeptine is not approved for any medical use.
Is tianeptine sodium a good antidepressant?
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Tianeptine shows efficacy against serious depressive episodes (major depression), comparable to amitriptyline, imipramine and fluoxetine, but with significantly fewer side effects. It was shown to be more effective than maprotiline in a group of people with co-existing depression and anxiety.
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