Molecular Topological Properties of Alkylating Agents Based Anticancer Drug Candidates Via Some Ve-degree Topological Indices

2020 ◽  
Vol 16 (2) ◽  
pp. 190-195 ◽  
Author(s):  
Süleyman Ediz ◽  
Murat Cancan
Keyword(s):  
Anticancer Drugs ◽  
Anticancer Drug ◽  
Alkylating Agents ◽  
Topological Indices ◽  
Pharmacological Properties ◽  
Topological Properties ◽  
Drug Candidates ◽  
New Drug ◽  
Atom Bond ◽  
Dual Target

Background: Reckoning molecular topological indices of drug structures gives the data about the underlying topology of these drug structures. Novel anticancer drugs have been leading by researchers to produce ideal drugs. Materials and Methods: Pharmacological properties of these new drug agents explored by utilizing simulation strategies. Topological indices additionally have been utilized to research pharmacological properties of some drug structures. Novel alkylating agents based anticancer drug candidates and ve-degree molecular topological indices have been introduced recently. Results and Conclusion: In this study we calculate ve-degree atom-bond connectivity, harmonic, geometric-arithmetic and sum-connectivity molecular topological indices for the newly defined alkylating agents based dual-target anticancer drug candidates.

scholarly journals On Some Ve-Degree and Harmonic Molecular Topological Properties of Carborundum

2020 ◽  
Vol 8 (1) ◽  
pp. 65
Author(s):  
Murat Cancan ◽  
Kerem Yamaç ◽  
Ziyattin Taş ◽  
Mehmet Şerif Aldemir
Keyword(s):  
Silicon Carbide ◽  
Graph Theory ◽  
Topological Indices ◽  
Topological Properties ◽  
Degree Sum ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
Degree Harmonic ◽  
Atom Bond

Carborundum, also known as silicon carbide which containing carbon and silicon, is a semiconductor. Molecular topological properties of physical substances are important tools to investigate the underlying topology of these substances. Ev-degree and ve-degree based on the molecular topological indices have been defined as parallel to their corresponding classical degree based topological indices in chemical graph theory. Classical degree based topological properties of carborundum have been investigated recently. As a continuation of these studies, in this study, we compute novel ve-degree harmonic, ve-degree sum-connectivity, ve-degree geometric-arithmetic, and ve-degree atom-bond connectivity, the first and the fifth harmonic molecular topological indices of two carborundum structures. 

scholarly journals Label-Free Bioelectrochemical Methods for Evaluation of Anticancer Drug Effects at a Molecular Level

Sensors ◽  
2020 ◽  
Vol 20 (7) ◽  
pp. 1812 ◽  
Author(s):  
Francesco Tadini-Buoninsegni ◽  
Ilaria Palchetti
Keyword(s):  
Anticancer Drugs ◽  
Anticancer Drug ◽  
Drug Effects ◽  
Cost Effective ◽  
Research Area ◽  
Screening Methods ◽  
Label Free ◽  
Supported Membranes ◽  
Drug Candidates ◽  
Novel Drug

Cancer is a multifactorial family of diseases that is still a leading cause of death worldwide. More than 100 different types of cancer affecting over 60 human organs are known. Chemotherapy plays a central role for treating cancer. The development of new anticancer drugs or new uses for existing drugs is an exciting and increasing research area. This is particularly important since drug resistance and side effects can limit the efficacy of the chemotherapy. Thus, there is a need for multiplexed, cost-effective, rapid, and novel screening methods that can help to elucidate the mechanism of the action of anticancer drugs and the identification of novel drug candidates. This review focuses on different label-free bioelectrochemical approaches, in particular, impedance-based methods, the solid supported membranes technique, and the DNA-based electrochemical sensor, that can be used to evaluate the effects of anticancer drugs on nucleic acids, membrane transporters, and living cells. Some relevant examples of anticancer drug interactions are presented which demonstrate the usefulness of such methods for the characterization of the mechanism of action of anticancer drugs that are targeted against various biomolecules.

scholarly journals Article Commentary: Capsaicin—the Hot and Spicy Diet Turned Mild and Effective by Glycosylation

2009 ◽  
Vol 2 ◽  
pp. BCI.S3064 ◽  
Author(s):  
Henrik Toft Simonsen
Keyword(s):  
Physiological Effect ◽  
Water Soluble ◽  
Drug Candidate ◽  
Pharmacological Properties ◽  
Drug Candidates ◽  
New Drug ◽  
Interesting Approach

Shimoda and coworkers 1 published a paper on the pharmacological properties of glycosides of the peppery compound capsaicin (1) and its derivative 8-nordihydrocapsaicin (2). In their paper they conclude that the β-glucoside and β-maltoside of 1 and the β-glucoside of 2 still have the same potent anti-obese activity but further studies are needed to determine the physiological effect. Shimoda et al. 1 use glycosylation to make a drug candidate more water soluble to promote their research for new drug candidates within the chemical group of capsaicinoids. Their findings support that this is a plausible way to enhance both bioavailability and “drug-likeliness” properties of drug candidates. This is indeed an interesting approach which should be pursued further and by many more.

scholarly journals On molecular topological properties of dendrimers

2016 ◽  
Vol 94 (2) ◽  
pp. 120-125 ◽  
Author(s):  
Syed Ahtsham Ul Haq Bokhary ◽  
Muhammad Imran ◽  
Sadia Manzoor
Keyword(s):  
Graph Theory ◽  
Physicochemical Properties ◽  
Chemical Compounds ◽  
Topological Indices ◽  
Topological Properties ◽  
Graph Invariant ◽  
Qspr Study ◽  
Atom Bond

Topological indices are numerical parameters of a graph that characterize its topology and are usually graph invariant. In a QSAR/QSPR study, physicochemical properties and topological indices such as the Randić, atom–bond connectivity (ABC), and geometric–arithmetic (GA) indices are used to predict the bioactivity of different chemical compounds. Graph theory has found a considerable use in this area of research. In this paper, we study the degree-based molecular topological indices such as ABC4 and GA5 for certain families of dendrimers. We derive the analytical closed formulae for these classes of dendrimers.

scholarly journals On topological properties of dominating David derived networks

2016 ◽  
Vol 94 (2) ◽  
pp. 137-148 ◽  
Author(s):  
Muhammad Imran ◽  
Abdul Qudair Baig ◽  
Haidar Ali
Keyword(s):  
Interconnection Networks ◽  
Network Science ◽  
Chemical Properties ◽  
Chemical Compounds ◽  
Topological Indices ◽  
Molecular Topology ◽  
Topological Properties ◽  
Graph Invariant ◽  
Physico Chemical ◽  
Atom Bond

Topological indices are numerical parameters of a graph that characterize its molecular topology and are usually graph invariant. In a QSAR/QSPR study, the physico-chemical properties and topological indices such as the Randić, atom–bond connectivity (ABC), and geometric–arithmetic (GA) indices are used to predict the bioactivity of chemical compounds. Graph theory has found a considerable use in this important area of research. All of the studied interconnection networks in this paper are constructed by the Star of David network. In this paper, we study the general Randić, first Zagreb, ABC, GA, ABC4 and GA5, indices for the first, second, and third types of dominating David derived networks and give closed formulas of these indices for these networks. These results are useful in network science to understand the underlying topologies of these networks.

scholarly journals Transcription factors as targets of anticancer drugs.

1999 ◽  
Vol 46 (2) ◽  
pp. 255-262 ◽  
Author(s):  
M Gniazdowski ◽  
M Czyz
Keyword(s):  
Transcription Factors ◽  
Anticancer Drugs ◽  
Binding Sites ◽  
Promoter Region ◽  
Alkylating Agents ◽  
New Drugs ◽  
Pharmacological Properties ◽  
Specific Interactions ◽  
Covalent Modifications ◽  
Specific Sequences

Several general and gene- and cell-selective transcription factors are required for specific transcription to occur. Many of them exert their functions through specific contacts either in the promoter region or at distant sequences regulating the initiation. These contacts may be altered by anticancer drugs which form non-covalent complexes with DNA. Covalent modifications of DNA by alkylating agents may prevent transcription factors from recognizing their specific sequences or may constitute multiple "unnatural" binding sites in DNA which attract the factors thus decreasing their availability in the cell. The anticancer drug-transcription factor interplay which is based on specific interactions with DNA may contribute to pharmacological properties of the former and provide a basis for the search for new drugs.

scholarly journals Atrial Fibrillation Associated with Anticancer Drugs

2020 ◽  
Vol 8 (4) ◽  
pp. 178-190
Author(s):  
O. D. Ostroumova ◽  
M. S. Chernyaeva ◽  
A. I. Kochetkov ◽  
D. I. Bakhteeva ◽  
S. N. Ivanov ◽  
...  
Keyword(s):  
Risk Factors ◽  
Atrial Fibrillation ◽  
Adverse Reaction ◽  
Anticancer Drugs ◽  
Anticancer Drug ◽  
Anticancer Agents ◽  
Alkylating Agents ◽  
Protein Kinase Inhibitors ◽  
Drug Induced ◽  
Pathophysiological Mechanisms

Atrial fibrillation is a serious adverse reaction associated with the use of anticancer drugs. The aim of the study was to analyse scientific literature on the prevalence, pathophysiological mechanisms, and risk factors of anticancer drug-induced atrial fibrillation, ways of its prevention and treatment. The results of the study showed that the incidence of drug-induced atrial fibrillation varies depending on a specific anticancer drug and ranges from 1 to 86%. It is associated with the use of herbal anticancer agents, alkylating agents, protein kinase inhibitors, monoclonal antibodies, immunosuppressants, antitumor antibiotics, antimetabolites, hormonal anticancer agents, hormone antagonists, etc. Most often, atrial fibrillation develops following the use of such drugs as gemcitabine (in combination with vinorelbine), cisplatin, melphalan, ibrutinib, cetuximab, trastuzumab, alemtuzumab, and doxorubicin. It was demonstrated that the pathophysiological mechanisms underlying the development of atrial fibrillation induced by anticancer drugs include electrophysiological abnormalities, myocardial injury, inflammation, immune response, apoptosis, and oxidative stress. Risk factors for the development of anticancer drug-induced atrial fibrillation are not clearly defined yet and continue to be the subject of research. Prevention of drug-induced atrial fibrillation in cancer patients requires a multidisciplinary approach involving participation of an oncohematologist and a cardiologist. The doctors in charge should also be vigilant regarding potential development of this adverse reaction. 

scholarly journals The Effect of Glutathione Peroxidase-1 Knockout on Anticancer Drug Sensitivities and Reactive Oxygen Species in Haploid HAP-1 Cells

Antioxidants ◽  
2020 ◽  
Vol 9 (12) ◽  
pp. 1300
Author(s):  
Steven Behnisch-Cornwell ◽  
Lisa Wolff ◽  
Patrick J. Bednarski
Keyword(s):  
Reactive Oxygen Species ◽  
Cell Line ◽  
Cell Lines ◽  
Anticancer Drugs ◽  
Anticancer Drug ◽  
Alkylating Agents ◽  
Reactive Oxygen ◽  
Oxygen Species ◽  
Metabolic Rates ◽  
Native Cell

The role of glutathione peroxidases (GPx) in cancer and their influence on tumor prognosis and the development of anticancer drug resistance has been extensively and controversially discussed. The aim of this study was to evaluate the influence of GPx1 expression on anticancer drug cytotoxicity. For this purpose, a GPx1 knockout of the near-haploid human cancer cell line HAP-1 was generated and compared to the native cell line with regards to morphology, growth and metabolic rates, and oxidative stress defenses. Furthermore, the IC50 values of two peroxides and 16 widely used anticancer drugs were determined in both cell lines. Here we report that the knockout of GPx1 in HAP-1 cells has no significant effect on cell size, viability, growth and metabolic rates. Significant increases in the cytotoxic potency of hydrogen peroxide and tert-butylhydroperoxide, the anticancer drugs cisplatin and carboplatin as well as the alkylating agents lomustine and temozolomide were found. While a concentration dependent increases in intracellular reactive oxygen species (ROS) levels were observed for both HAP-1 cell lines treated with either cisplatin, lomustine or temozolamide, no significant enhancement in ROS levels was observed in the GPx1 knockout compared to the native cell line except at the highest concentration of temozolamide. On the other hand, a ca. 50% decrease in glutathione levels was noted in the GPx1 knockout relative to the native line, suggesting that factors other than ROS levels alone play a role in the increased cytotoxic activity of these drugs in the GPx1 knockout cells.

Antitubercular Marine Natural Products

2018 ◽  
Vol 25 (20) ◽  
pp. 2304-2328 ◽  
Author(s):  
Lishu Wang ◽  
Jungfeng Wang ◽  
Juan Liu ◽  
Yonghong Liu
Keyword(s):  
Natural Products ◽  
Marine Natural Products ◽  
Antitubercular Activity ◽  
Marine Resources ◽  
Drug Candidates ◽  
New Drug ◽  
Chemical Constitution

Due to the importance of nature as a source of new drug candidates, the purpose of this article is to emphasize the marine natural products, which exhibit antitubercular activity, published between January 2000 and May 2016, with 138 quotations to 250 compounds obtained from marine resources. These metabolites are organized by chemical constitution and named as simple alkyl lipids derivatives, aromatics derivatives, peptides, alkaloids, terpenoids, steroids, macrolides, and polycyclic polyketides.

Current Approaches to Drug Discovery for Chagas Disease: Methodological Advances

2019 ◽  
Vol 22 (8) ◽  
pp. 509-520
Author(s):  
Cauê B. Scarim ◽  
Chung M. Chin
Keyword(s):  
Drug Discovery ◽  
Chagas Disease ◽  
Drug Candidates ◽  
Lead Compounds ◽  
New Drug ◽  
Compound Libraries ◽  
Screening Assays ◽  
Cruzi Infection

Background: In recent years, there has been an improvement in the in vitro and in vivo methodology for the screening of anti-chagasic compounds. Millions of compounds can now have their activity evaluated (in large compound libraries) by means of high throughput in vitro screening assays. Objective: Current approaches to drug discovery for Chagas disease. Method: This review article examines the contribution of these methodological advances in medicinal chemistry in the last four years, focusing on Trypanosoma cruzi infection, obtained from the PubMed, Web of Science, and Scopus databases. Results: Here, we have shown that the promise is increasing each year for more lead compounds for the development of a new drug against Chagas disease. Conclusion: There is increased optimism among those working with the objective to find new drug candidates for optimal treatments against Chagas disease.

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