@article {2209, title = {Predictive Simulation and Functional Insights of Serotonin Transporter: Ligand Interactions Explored through Database Analysis}, journal = {Pharmacognosy Journal}, volume = {16}, year = {2024}, month = {February 2024}, pages = {52-59}, type = {Original Article}, chapter = {52}, abstract = {

Through its ability to facilitate the absorption of serotonin into presynaptic neurons, the serotonin transporter, also known as SERT, an essential component in the control of neurotransmission. To discover SERT possible therapeutic application, it is essential to have a solid understanding of its dynamic behavior, ligand interactions, and functional consequences. Within the scope of this investigation, the predictive simulations is crucial to investigate the complexities of SERT to gain a fresh understanding of its operation. We use the 6AWN model to describe the sequence and simulate the behavior of SERT in silico. Within this simulation, we anticipate the conformational changes of SERT and its reaction to ligand binding with paroxetine, cholesterol, dodecyl-beta-D-maltose (DDM), and sodium hydrogen ion. We discover critical residues that are crucial in the interaction between ligands and proteins. They have paroxetine binding to I.172, I.172, Y.176, and F.341 are examples of hydrophobic interactions. Example of hydrogen bonds include A.96 and pi-stacking: F.341. The blockage of the serotonin transporter is the principal mechanism of action that paroxetine has. Cholesterol interacts with SERT W.500, W.500, W.500, W.500, L.504, and A.507, and it also interacts with the outward-facing conformation of this transporter in two different ways. In general, cholesterol interacts with SERT and ligands to stabilize their optimal activity and structure. DDM contact with SERT is also a part of this interaction. R.104, D.328, E.494, Y.495, G.498, P.499, T.503, F.556, L.557, S.559, P.561, Y.579, G.582, T.583, and F.586 are the numbers that are currently in use. Within the context of glucosyl transfer processes, DDM has been utilized as an acceptor. And the interaction of Na with SERT S.263, which causes a change in the structure of SERT. Serotonin transporters are present in the environment.

}, keywords = {Database Analysis, Functional analysis, Predictive in silico, Serotonin Transporter}, doi = {10.5530/pj.2024.16.8}, author = {Irzan Nurman and Ninik Mudjihartini and Nurhadi Ibrahim and Linda Erlina and Fadilah Fadilah and Muchtaruddin Mansyur} } @article {1901, title = {Effects of Acalypha indica L. Extract on Inflammatory Response in The Pathogenesis of Nonalcoholic Fatty Liver Disease: An Overview of TLR9, NFκB and TNFα Expression in Hepatocytes and Macrophages of Sprague-Dawley Rats}, journal = {Pharmacognosy Journal}, volume = {14}, year = {2022}, month = {December 2022}, pages = {710-719}, type = {Original Article}, chapter = {710}, abstract = {

Background: Complications of non-alcoholic fatty liver disease (NAFLD) include 67\% of the criteria for metabolic syndrome. Acalypha indica L., (AI) which is one of a herbal plant had been known as anti-oxidant and anti-inflammatory effects. The effect of AI for therapy investigated by looking of the immune defense mechanisms. This researched was assessed by molecular docking approached on TLR9, NFκB, TNFα expression and liver morphological changes. Methods: Animal models of steatohepatitis were collected from high-fructose and cholesterol diet (HFCD) of Sprague-Dawley rats for 12 weeks and followed by therapy for 8 weeks. There were 5 groups from twenty five researched rats, include normal group (K1), HFCD group (K2), HFCD group supplemented with 400 mg Acalypha indica L. (K3), combination between 400 mg AI+Gemfibrozil (Gem) 31 mg (K4) and Gem 31 mg/kg (K5) in kgBW, respectively. Results: The results of molecular docking were carried out by assessing the interaction between hydrogen molecules of AI compounds and amino acid residues in TLR9, NFκB, TNFα. Morphological changes were assessed by scoring system. Statistical analyzed used Kruskall Wallis with post hoc Mann Whitney test continued by Spearman correlation test. Conclusion: The molecular docking analysis showed that, an alkaloid compounds were found besides the flavonoid compounds that can bind to the binding pocket of inflammatory markers with the best binding energies. Other compounds, there are dasycarpidan-1- methanol, acetate (ester), fenofibrate and quinine. Supplementation of AI would reduced hypertrophy (p=0.031), macrovesicular steatosis (p=0.018), inflammation foci (p=0.005) and also decreased of TLR9 (p=0.009), NFκB (p=0.009), TNFα (p=0.009) expression, but not as good as the combination of AI+Gem.

}, keywords = {Acalypha indica L., NAFLD, NFκB, TLR9, TNFα}, doi = {10.5530/pj.2022.14.158}, author = {Novianti Supriatna and Nurjati Chairani Siregar and Erni Hernawati Purwaningsih and Linda Erlina} } @article {1245, title = {Comparison of Cytotoxicity between Ethyl Acetate and Ethanol Extract of White Turmeric (Kaempferia rotunda) Rhizome Extract Against HeLa Cervical Cancer Cell Activity}, journal = {Pharmacognosy Journal}, volume = {12}, year = {2020}, month = {September 2020}, pages = {1297-1302}, type = {Research Article}, chapter = {1297}, abstract = {

Aim: The aim of this study is to compare between ethanol and ethyl acetate rhizome extract of K.rotunda against HeLa cervical cancer cell in vitro. Material and Methods: Methods used in this research are test the chemical compound of extracts using Thin Layer Chromatography (TLC) and phytochemical screening test, also cytotoxicity test using MTT assay. Result: Ethyl acetate extract contains flavonoid, alkaloid, tannin, and triterpenoid, while ethanol extract have flavonoid, triterpenoid, and alkaloid. In addition, ethanol extract has strong cytotoxic activity (IC50 = 16,939 μg/ml) while ethyl acetate extract has moderate cytotoxic activity (IC50 = 127,9 μg/ml). Each of extracts showed significant results (p <= 0,05) although when compared between concentrations there are several concentrations that are not significant and also small coefficient of determinant values caused by various confounding factors. Conclusion: The ethanol extract of K.rotunda rhizome extract has the higher cytotoxicity activity compared to ethyl acetate extract of K.rotunda rhizome extract against HeLa cervical cancer cell.

}, keywords = {Anti cervical cancer, HeLa, in vitro, Kaempferia rotunda}, doi = {10.5530/pj.2020.12.178}, author = {Surya Dwira and Ariska TP and Fadilah Fadilah and Norma Nur Azizah and Linda Erlina} }