scholarly journals Synthesis, anticancer activity and molecular docking study of Schiff base complexes containing thiazole moiety

2016 ◽  
Vol 5 (1) ◽  
pp. 85-96 ◽  
Author(s):  
Mokhles M. Abd-Elzaher ◽  
Ammar A. Labib ◽  
Hanan A. Mousa ◽  
Samia A. Moustafa ◽  
Mamdouh M. Ali ◽  
...  
Keyword(s):  
Schiff Base ◽  
Molecular Docking ◽  
Anticancer Activity ◽  
Docking Study ◽  
Schiff Base Complexes ◽  
Molecular Docking Study

Design Graph Theoretical Analysis and In Silico Modeling of Dunaliella Bardawil Biomass Encapsulated N-Succinyl Chitosan Nanoparticles for Enhanced Anticancer Activity

2019 ◽  
Vol 18 (13) ◽  
pp. 1900-1918 ◽  
Author(s):  
Selvaraj Kunjiappan ◽  
Theivendren Panneerselvam ◽  
Balasubramanian Somasundaram ◽  
Murugesan Sankaranarayanan ◽  
Pavadai Parasuraman ◽  
...  
Keyword(s):  
Particle Size ◽  
Molecular Docking ◽  
Anticancer Activity ◽  
Signaling Pathway ◽  
Pathway Analysis ◽  
Chitosan Nanoparticles ◽  
Docking Study ◽  
Molecular Docking Study ◽  
Dunaliella Bardawil ◽  
Ras P21

Purpose: To investigate N-succinyl chitosan nanoparticles (NSC NPs) encapsulation with Dunaliella bardawil (D. bardawil) biomass for high utilization enhanced effectiveness and least side effects for anticancer activity. Methods: The potential bioactive compounds from D. bardawil biomass were encapsulated NSC NPs by ionotropic gelation method and to characterize its molecular shape, particle size, stability and polydispersity index using FTIR, XRD, SEM, TEM and Zetasize Nano analyzer. Signaling pathway analysis, molecular docking study and in vitro anticancer screening were performed on chosen H-Ras P21, 721P and liver cancer cell lines (HepG2), respectively. Results: The D. bardawil biomass majorly contains 6 bioactive compounds such as β-carotene, lutein, zeaxanthin, phytoene, canthaxanthin, and phytofluene were identified by LC-MS. The D. bardawil biomass encapsulated NSC NPs showed an average particle size of 80±5.6 nm in spherical shape, crystalline nature, zeta potential of -32±2.7 mV and polydispersity index of 0.51±0.02. Interestingly, the identified target using graph theoretical signaling pathway analysis and molecular docking study showed strong interaction of NSC NPs in binding pockets of H-Ras P21 protooncogene. At 50μg/mL, NPs displayed 95.60% cytotoxicity in HepG2 cell line. The apoptotic cell cycle analysis showed cell death for 24 h and 48 h representing 13.13% and 47.04%, respectively. Conclusion: The highly cross-linked, biocompatible, biodegradable, nontoxic NSC NPs promising carrier for delivery of bioactive molecules present in the D. bardawil biomass was found to be actively involved in deregulation of cellular growth in targeted cancer cells. Thus active NPs serve as a novel nanodrug to enhance the controlled; site specific drug delivery in the management of cancer.

Synthesis, Molecular Docking Study and in vitro Anticancer Activity of Tetrazole Linked Benzochromene Derivatives

2017 ◽  
Vol 17 (3) ◽  
pp. 464-470 ◽  
Author(s):  
Sridevi Gorle ◽  
Suresh Maddila ◽  
Surya Maddila ◽  
Kovashnee Naicker ◽  
Moganavelli Singh ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Anticancer Activity ◽  
Docking Study ◽  
Molecular Docking Study

Synthesis, molecular docking study, and anticancer activity of triaryl-1,2,4-oxadiazole

2013 ◽  
Vol 22 (9) ◽  
pp. 4253-4262 ◽  
Author(s):  
Parisa Miralinaghi ◽  
Mona Salimi ◽  
Amirali Amirhamzeh ◽  
Mahnaz Norouzi ◽  
Hirsa Mostafapour Kandelousi ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Anticancer Activity ◽  
Docking Study ◽  
Molecular Docking Study

Anticancer Mechanism of Withania Somnifera and Its Bioactive Compounds : A Short Review Along with Computational Molecular Docking Study

2020 ◽  
Author(s):  
Mita Shikder ◽  
Tasnin Al Hasib ◽  
Md. Lutful Kabir
Keyword(s):  
Molecular Docking ◽  
Anticancer Activity ◽  
Bioactive Compounds ◽  
Withania Somnifera ◽  
Short Review ◽  
Docking Study ◽  
Withaferin A ◽  
Molecular Docking Study ◽  
Anticancer Mechanism ◽  
Protein Kinase C Iota

<p>Withania somnifera, known as Aswogondha in Bangladesh and some part of India, is a shrub of Solanceae family. Parts of this plant is used as alternative medicine in this region to cure diseases from bronchitis to insomnia. Although such use of the plant is not supported by clinical research, recent studies have found anticancer activity of some proteins derived from w. somnifera. The purpose of this study is to summarize the anticancer activity of medicinal plant Withania somnifera and its bioactive compounds as well as to predict the interaction between phytochemicals (Withanolide, Withaferin-A) and macromolecules that are responsible for cancer cell proliferation. Studies suggested that Withanolide and Withaferin-A from W. somnifera can be used as a cancer chemotherapeutic agent for cancerous cell lines in mice models through modulating various signaling pathway including inhibition, autophagy, apoptosis, radiopreventive pathway and reactive oxygen species pathway. Molecular docking of Withanolide and Withaferin-A against 9 types of vital protein mediators concluded that 3A8X (Protein kinase C iota type) and 1A9U (MAP KINASE P38) are the most active receptor for binding and interacting with Withanolide and Withaferin-A for the prevention and treatment of cancer. On the basis of this review and docking study, it can be concluded that Withania somnifera as well as its derivatives Withanolide and Withaferin-A may be considered as a promising anticancer agent. </p>

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