Mortalin was over expressed in tumor cells and bind to p53 protein.This interaction suggested promote sequestration of the cytoplasm, thereby inhibiting its nuclear activity.The is a suppressor that essential for prevention cancer development loss function one early events immortalization human cells.Therefore, abrogation p53-mortalin using small molecule guaranteed stop cell grow.However study p53-mortalin, inhibition still challenging because specific site mortalin p53, vice versa,...

Abstract The antitumor macrolide aplyronine A (ApA) disturbs microtubule (MT) dynamics by inducing the protein–protein interaction (PPI) between actin and tubulin. However, detailed binding mode of actin–ApA–tubulin heterotrimeric complex (HTC) molecular mechanism which ApA inhibits MT are unclear. To establish modes actin–ApA on tubulin α/β-heterodimer, blind docking simulations were performed. Two plausible HTC models having enough conformational ligand stabilities obtained, in C7...

Abstract FOXO1 protein inactivation in the nucleus is one of targets for treatment diabetes mellitus. Annona muricata leaves contain flavonoid and phenolic compound alkaloids that were known to be able increase pancreatic β cell proliferation animal experiment. This research aimed predict active ability bind inhibit through silico study. Analysis molecular docking was performed by using Autodock Vina PyRx. this proved anonaine, rutin, muricatocin a, isolaureline, xylopine, kaempferol 3- O...

Vernonia amygdalina Delile. is commonly found in a tropical area, it has an inotropic effect on the heart and phytochemical constituents that are similar to digoxin such as vernonioside D A3.This study aimed determine prediction of toxicity level value bond energy between digoxin, D, A3 enzyme Na + /K ATPase In silico method.Prediction ADMET was determined by using pkCSM website, Prediction chemical were protox II website docking analysis this carried out AutoDock software with PDB code 4RET...

Alzheimer's disease (AD) is the most known neurodegenerative disease, and its prevalence predicted to increase significantly. Discovering novel drugs treatments for AD urgently needed. Drugs from natural products have been preferred lately due their high potential low toxicity. Citrus hystrix DC. (kaffir lime; KL) one such herbal plant that found abundantly in Southeast Asia with many biological activities. In this study, of bioactive compounds KL peel, leaf, essential oil as anti-AD agents...

Nasopharyngeal carcinoma (NPC) is a malignant tumor in the nasopharyngeal epithelial cells that caused by many factors, one of which viral infection EBV (Epstein Barr Virus).The standard treatments to cure NPC still have not been encouraging.The prevention through vaccination an effective way stop disease.However, vaccine being able cover all variants virus available yet.Therefore, we identified conserved region glycoprotein 350/220 has immunogenic and antigenic properties.The surface...

A side-chain dimer analog of aplyronine potently depolymerized filamentous actin, and gave a highly distorted twisted orientation actin in 2 : 1 complex.

Nasopharyngeal carcinoma (NPC) is malignant tumour that strongly related to Epstein-Barr virus infection. Several methods are available for diagnosis but it only indicates the viral titre. This research aims identify new potential biomarker and those contributions in NPC signalling pathway. Biomarker was identified by topological analysis, modularity analysis functional using Cytoscape 3.2.1. Furthermore, biomarkers' candidate expression confirmed microarray data from NCBI analyzed...

We developed versatile actin-affinity tags from the side-chain analogs of aplyronine A, an antitumor marine macrolide.

Estrogen receptor alpha (ERα) is a common target for breast cancer treatment and mainly involved in cell proliferation. Breadfruit (Artocarpus altilis) well-known traditional herb that has anticancer potential, specifically inhibiting This study sought to identify the active compound from breadfruit as candidate ERα inhibitor. used flavonoid compounds candidates. Eleven flavonoids were considered, including: cycloaltilisin 7, isocyclomorusin, cyclomorusin, cycloaltilisin, cyclomulberrin,...

The caseinolytic protease (Clp) system plays an essential role in the protein homeostasis of malaria parasite, particularly at stage apicoplast development. inhibition this is known to have a lethal effect on parasite and therefore considered interesting avenue for antimalaria drugs discovery. catalytic activity Clp modulated by its proteolytic subunit (ClpP), which belongs serine family member extensively studied further inhibitors Among many inhibitors, group β-lactone be specific...

Cancer is one of the death causes in world. Many plants act as anticancer, them Curcuma longa. The purpose this study was to analyze molecular mechanism compounds longa an anticancer using silico. These research methods included exploration active plants, prediction their activity, human intestinal absorption test, test Lipinski's rule five, docking, and interactions receptor with well signaling pathways. results showed that had 20 have potential anticancer. As many 5 compounds, namely...

Selective inhibitors of CYP isoforms gaining importance in the treatment cancers caused by hormonal imbalance.Metabolites estradiol and polyaromatic hydrocarbons generated due to CYP1B1 activity were reported be oncogenic.The selective could have potential therapeutic utility controlling cancer these oncogens.Due high sequence similarity design inhibitor is difficult.Recently our group has two novel chemical classes (scaffolds) that are specific towards CYP1B1.The architecture compounds...

Dolastatin 16, a marine cyclic depsipeptide, was initially isolated from the sea hare

Background: Formaldehyde (H 2 C=O) is a flammable, colourless reactive compound and readily polymerized gas at normal pressure room temperature with relative molecular mass of 30.03 pungent odour.Methodology: in aqueous solution enters the bloodstream directly.These events are most likely occur dialysis or surgery assisted circulation, which machine tubes disinfected formaldehyde.Results: It observed that proteins (DHRS4, AOC3, ALDH3A1, ADH5, FOS, TRPA1, DMGDH, SARDH, PIPOX SHMT2) interacted...

In oncopharmacology, the common procedure to evaluate median-effect concentrations (IC50) on experimental data is based use of well-established kinetic models representing inhibition effects drugs human cancer cell lines.Several widespread software programs, such as GraphPad Prism and CompuSyn offer possibilities for calculation IC50 through model Chou.In recent study, we analyzed results from those two programs compared them with non-linear programming written by us in MAPLE symbolic...

Cervical cancer is one of the primary causes mortality in women due to human papilloma virus (HPV) infection. The fingerprint an HPV infection could be detected using a long non-coding RNA (lncRNA) biomarker, enabling it utilized molecular diagnostics. structure or sequences should annotated within conventional bioinformatics tools. Therefore, this study aimed determine fine-grained 2D and 3D structures lncRNA PVT1 its respective siRNA inhibitors. from Homo sapiens, Mus musculus, Rattus...

Vernonia amygdalina Delile.leaves are potential as cardiotonic and anticancer cause of cardiac glycosydes which contain in them.This study evaluated the mechanism glycosides from inhibition Na + /K ATPase with molecular docking.Docking was performed on receptor file (PDB ID: 4HYT) using AutoDock Vina PyRx 9.5 program visualized by Ligplot 2.1 dan PyMol 2.3.1.Two three-dimension conformation models compounds were generated Chem Draw program.The docking score Ouabain standard Vernoniosides A2...

Lombok Strait has abundance of Sardine, Sardinella lemuru, which contains such high amount omega-3 fatty acid (omega-3). However, the genetic relationship S. lemuru with other commercial fish rich in not been widely studied yet. Studies on proximity marine using 12S rRNA gene is very important order to obtain information Sardine develop an appropriate strategy for future conservation Strait. The aim this study was find out living economically valuable and its correlation production. were...

Dengue virus infection causes thrombocytopenia. Psidium guajava is widely used by people to increase platelet counts. This research aims analyze in silico the molecular mechanisms of compounds guava fruit increasing platelets. The were taken from Dr. Duke's Phytochemical and Ethnobotanical Databases, which include secondary metabolites such as flavonoids, terpenoids, tannins, alkaloids, fatty acids. Target proteins predicted using PharmMapper. Protein interaction networks created STRING,...

Many studies report on the role of Phyllanthus niruri as an anti-inflammatory and there are variations in results every research, so a meta-analysis study is needed to obtain accurate results. This aims conduct effect anti-inflammatory. uses research design with data collection from 12 databases. The screening process was carried out according PRISMA, then analyzed using Comprehensive Meta-Analysis Version 3 (CMA3). Funnel plot Egger’s test were used methods measure publication bias....