scholarly journals Proapoptosis Effect of Root of Eurycoma longifolia (Pasak Bumi) on the Prostate Cancer: In Silico Analysis

2020 ◽  
Vol 20 ◽  
pp. 03003
Author(s):  
Eka Yudha Rahman ◽  
Mulyohadi Ali ◽  
Basuki Bambang Purnomo ◽  
Nia Kania
Keyword(s):  
Prostate Cancer ◽  
In Silico ◽  
Caspase 3 ◽  
In Silico Analysis ◽  
Data Bank ◽  
Active Ingredients ◽  
Caspase 9 ◽  
Active Compounds ◽  
Eurycoma Longifolia ◽  
Silico Analysis

This study aimed to predict the proapoptosis effect of E. longifolia active compounds on prostate cancer by in silico analysis. Protein data such as BCL-2 (GI: 2506216), Caspase 3 (GI: 6978605), Caspase 8(GI: 11560103), data quassinoid (ID: 5459060 and chantin (ID: 97176) were collected from GenBank of NCBI. Protein BCL-2 collected from NCBI compare with Protein Data Bank (PDB) and UNIPROT. The docking process was carried out using software HEX 8.0. to compute the binding affinity between ligands (active compounds of Pasak Bumi) and protein target. The interaction between quassinoid and chantin was strongest and stable against caspase-9, indicating that the active ingredient in E. longifolia triggered caspase-9 activity after activation of BH3 domains in Bcl-2 in prostate cancer. The low energy binding between quassinoid and chantin with caspase-3 indicates the interaction between the active ingredients is not strong with caspase-3. E. longifolia active ingredients that are potentially used in the treatment of prostate cancer are quassinoid and chantin by inducing apoptotic mechanisms via both extrinsic and intrinsic pathways. The combination of active ingredients of E. longifolia that is quassinoid and chantin can be used as a strategy of prostate cancer therapy both through extrinsic and intrinsic pathways.

In silico analysis of non-synonymous single nucleotide polymorphism in a human KLK-2 gene associated with prostate cancer

Meta Gene ◽  
2019 ◽  
Vol 21 ◽  
pp. 100578
Author(s):  
Tooba Yousefi ◽  
Seyed Mostafa Mir ◽  
Jahanbakhsh Asadi ◽  
Mehdi Tourani ◽  
Ansar Karimian ◽  
...  
Keyword(s):  
Prostate Cancer ◽  
Single Nucleotide Polymorphism ◽  
In Silico ◽  
In Silico Analysis ◽  
Nucleotide Polymorphism ◽  
Single Nucleotide ◽  
Silico Analysis

In silico analysis and DHPLC screening strategy identifies novel apoptotic gene targets of aberrant promoter hypermethylation in prostate cancer

The Prostate ◽  
2010 ◽  
Vol 71 (1) ◽  
pp. 1-17 ◽  
Author(s):  
Therese M. Murphy ◽  
Linda Sullivan ◽  
Caroline Lane ◽  
Lisa O'Connor ◽  
Ciara Barrett ◽  
...  
Keyword(s):  
Prostate Cancer ◽  
In Silico ◽  
In Silico Analysis ◽  
Promoter Hypermethylation ◽  
Screening Strategy ◽  
Apoptotic Gene ◽  
Silico Analysis

Antiproliferative Activity of Cissus quadrangularis L. Extract against Human Cervical Cancer Cells: In Vitro and In Silico Analysis

2021 ◽  
Vol 21 ◽  
Author(s):  
Sahabjada Siddiqui ◽  
Qamar Zia ◽  
Mohd Abbas ◽  
Sushma Verma ◽  
Asif Jafri ◽  
...  
Keyword(s):  
Cervical Cancer ◽  
Cell Viability ◽  
Hela Cells ◽  
In Silico ◽  
Caspase 3 ◽  
In Silico Analysis ◽  
Ros Generation ◽  
Dependent Manner ◽  
Cissus Quadrangularis ◽  
Silico Analysis

Background: Ce rvical cancer is the second leading cause of cancer in women, which necessitates safe and potential therapeutic agents. Objective: This study was designed to investigate the antiproliferative effect of ethanolic extract of Cissus quadrangularis L. (CQ) against human cervical adenocarcinoma HeLa cell line and in silico analysis of selected active agents against apoptosis executioner enzyme caspase-3. Methods: Cell viability was analyzed in HeLa cells at different concentrations (25-300 μg/ml) of CQ extract. Reactive oxygen species (ROS) generation, cellular apoptosis, cell cycle analysis and caspases-3 activation were evaluated. In silico structure-based virtual screening analysis was carried out using AutoDock Vina and iGEMDOCK. Results: Cell viability of HeLa cells was reduced significantly (p ˂ 0.05) in a dose-dependent manner, however, CQ extract showed non-toxic to normal kidney epithelial NRK-52E cells. CQ extract induced the intracellular ROS level, nuclear condensation and reduced the mitochondrial membrane potential (MMP) with the induction of annexin V-FITC positive cells. CQ extract arrested cells in G0/G1 and G2/M checkpoints and activated caspase-3 activity significantly in HeLa cells. The molecular docking study showed a strong binding affinity of CQ phytocomponents against the caspase-3 (PDB ID: 1GFW) protein of human apoptosis. PASS analyses of selected active components using Lipinski’s Rule of five showed promising results. Further, drug-likeness and toxicity assessment using OSIRIS Data Warrior V5.2.1 software exhibited the feasibility of phytocomponents as drug candidates with no predicted toxicity. Conclusion: This study suggested that active constituents in CQ extract can be considered as potential chemotherapeutic candidates in the management of cervical cancer.

scholarly journals In Silico Analysis and Experimental Validation of Active Compounds from Cichorium intybus L. Ameliorating Liver Injury

2015 ◽  
Vol 16 (9) ◽  
pp. 22190-22204 ◽  
Author(s):  
Guo-Yu Li ◽  
Ya-Xin Zheng ◽  
Fu-Zhou Sun ◽  
Jian Huang ◽  
Meng-Meng Lou ◽  
...  
Keyword(s):  
Liver Injury ◽  
In Silico ◽  
Experimental Validation ◽  
In Silico Analysis ◽  
Cichorium Intybus ◽  
Active Compounds ◽  
Silico Analysis

scholarly journals In silico analysis of active compounds from ethanol extract of Curcuma xanthorrhiza on COX-2 receptors as anti-inflammation candidate

2021 ◽  
Author(s):  
Herawati Herawati ◽  
Yudit Oktanella ◽  
Agri Kaltaria Anisa ◽  
Dyah Kinasih Wuragil ◽  
Aulanni'am Aulanni'am
Keyword(s):  
In Silico ◽  
In Silico Analysis ◽  
Ethanol Extract ◽  
Active Compounds ◽  
Curcuma Xanthorrhiza ◽  
Cox 2 ◽  
Silico Analysis ◽  
Anti Inflammation

scholarly journals In silico Analysis of Copper Nanoparticles Synthesizing Bacteria Contributing Towards Big Data Bank

2019 ◽  
Vol 8 (01) ◽  
pp. 3078-3083
Author(s):  
Priyanka Kashyap ◽  
Poonam Shirkot ◽  
Praveen Khatri ◽  
Pooja Thakur ◽  
Vikrant Gautam
Keyword(s):  
Big Data ◽  
Copper Nanoparticles ◽  
In Silico ◽  
In Silico Analysis ◽  
Data Bank ◽  
Silico Analysis
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