scholarly journals In vitro Antiplasmodial Activity and Cytotoxicity of Vincadifformine and Its Semisynthetic Derivatives

2015 ◽  
Vol 11 (1) ◽  
Author(s):  
M. Mustofa ◽  
Michèle Mallié ◽  
Alexis Valentin ◽  
Guy Lewin
Keyword(s):  
Cytotoxic Activity ◽  
Hela Cells ◽  
Parent Compound ◽  
Indole Alkaloid ◽  
Quantitative Structure Activity Relationship ◽  
Antiplasmodial Activity ◽  
Structure Activity ◽  
Nigerian Strain ◽  
Aspidosperma Pyrifolium

An indole alkaloid with aspidospemane structure possessing a potential antiplasmodial activity,vincadifformine, has been isolated from Aspidosperma pyrifolium Mart. Moreover, 10 derivatives were preparedfrom the vincadifformine. The study was conducted to evaluate the in vitro antiplasmodial and cytotoxic activity ofthe vincadifformine and their semisynthetic derivatives. The in vitro antiplasmodial activity was evaluated onPlasmodium falciparum chloroquine-resistant (FcM ) and –sensitive (Nigerian) strains after 24-h and 72-h incubation, 29while cytotoxic activity was estimated on Hela cells and Cytotoxicity Index (CI = IC on HeLa cells/IC on FcM strain) 50 50 29was calculated to evaluate the safety of tested compounds. Experiment results showed that two compounds (4 and 8)exhibited good antiplasmodial activities in comparison with parent compound, vincadifformine and other testedcompounds with IC ranging from 5.3 to 12.8 μM on FcM strain and 11.4 to 24.0 μM on Nigerian strain. In addition, 50 29the CI of two compounds were also lower after 24-h incubation (CI, 2.0 and 4.8) than that of after 72-h incubation (CI,9.5 and 11.5). Further study will be conducted to evaluate quantitative structure-activity relationship (QSAR) in orderto design new antimalarial drugs.Keywords : vincadifformine - antiplasmodial – Plasmodium falciparum – cytotoxic - HeLa

scholarly journals 11, 13-Dehydro Lactone Moiety in Gynecologic Cancer Cells

2020 ◽  
Author(s):  
Yibing LIU ◽  
Qingju MENG ◽  
Li JING ◽  
Li FENG ◽  
Zhiyu NI
Keyword(s):  
Cancer Cells ◽  
Hela Cells ◽  
Gynecologic Cancer ◽  
Parent Compound ◽  
Inhibitory Effect ◽  
Chemotherapeutic Agents ◽  
Structure Activity ◽  
Anti Cancer ◽  
Induced Apoptosis

Background: To study the anti-cancer effect of isoalantolactone, a sesquiterpene    lactoneisolated from the roots of Inula heleniumon human gynecologic cancer cells. Methods: A structure-activity relationship experiment was designed to identify the functional moiety of isoalantolactone for its significant anti-cancer activity. Five gynecologic cancer cell lines were treated with isoalantolactone. Cell proliferation was determined by MTT assay in vitro and cell apoptosis by flow cytometry. Results: We found isoalantolactone strongly inhibited the cell proliferationofHEC-1, HAC-2, HOC-21, and HeLa cells. Its inhibitory effect was comparable to that of well-known chemotherapeutic agents, cisplatin and taxol. Furthermore, isoalantolactone induced apoptosis in HeLa cells via caspase. On the contrary, its 11, 13-dihydro derivatives had much weaker anti-proliferative activities than the parent compound. Conclusion: Isoalantolactone exhibited strong anti-proliferative activities and apoptosis-inducing effects on gynecologic cancer cells. The 11, 13-dehydro lactone moiety was critical for its anti-proliferative activity.

Antimicrobial Screening, in Silico Studies and QSAR of Chalcone-based 1,4-disubstituted 1,2,3-triazole Hybrids

Drug Research ◽  
2020 ◽  
Author(s):  
Pinki Yadav ◽  
Kashmiri Lal ◽  
Ashwani Kumar
Keyword(s):  
Topoisomerase Ii ◽  
Antimicrobial Properties ◽  
Qsar Model ◽  
Quantitative Structure Activity Relationship ◽  
Binding Modes ◽  
E Coli ◽  
Structure Activity ◽  
In Silico Studies ◽  
Microbial Strains

AbstractThe in vitro antimicrobial properties of some chalcones (1a–1c ) and chalcone tethred 1,4-disubstituted 1,2,3-triazoles (2a–2u) towards different microbial strains viz. Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Pseudomonas aeruginosa, Aspergillus niger and Candida albicans are reported. Compounds 2g and 2u exhibited better potency than the standard Fluconazole with MIC values of 0.0063 µmol/mL and 0.0068 µmol/mL, respectively. Furthermore, molecular docking was performed to investigate the binding modes of two potent compounds 2q and 2g with E. coli topoisomerase II DNA gyrase B and C. albicans lanosterol 14α-demethylase, respectively. Based on these results, a statistically significant quantitative structure activity relationship (QSAR) model was successfully summarized for antibacterial activity against B. subtilis.

RELATIONSHIP BETWEEN THE LIPOPHILICITY AND ANTIFUNGAL ACTIVITY OF SOME BENZIMIDAZOLE DERIVATIVES

2007 ◽  
Vol 06 (04) ◽  
pp. 687-698 ◽  
Author(s):  
SANJA PODUNAVAC-KUZMANOVIĆ ◽  
SINIŠA MARKOV ◽  
DIJANA BARNA
Keyword(s):  
Antifungal Activity ◽  
Predictive Ability ◽  
Quantitative Structure Activity Relationship ◽  
Benzimidazole Derivatives ◽  
Log P ◽  
Yeast Saccharomyces Cerevisiae ◽  
Software Products ◽  
Structure Activity ◽  
Lipophilicity Parameters

In the present paper, the antifungal activity of some 1-benzylbenzimidazole derivatives were evaluated against yeast Saccharomyces cerevisiae. The tested compounds displayed in vitro antifungal activity and minimum inhibitory concentration (MIC) was determined for all the compounds. Quantitative structure–activity relationship (QSAR) has been used to study the relationships between inhibitory activity and lipophilicity parameters ( log P). A variety of lipophilicity parameters ( log PHyper, CS log P, mi log P, A log P, IA log P, C log P, log PKow, and X log P) were calculated using different software products, and experimentally determined ("shake-flask" method). On the basis of correlations, the nonlinear structure–activity models were derived between the log 1/cMICand two different lipophilicity parameters. Four high-quality QSAR models were found to have a good predictive ability and a close agreement between the experimental and predicted values was obtained.

scholarly journals Synthesis and Structure-Activity Relationships of New 2-Phenoxybenzamides with Antiplasmodial Activity

2021 ◽  
Vol 14 (11) ◽  
pp. 1109
Author(s):  
Theresa Hermann ◽  
Patrick Hochegger ◽  
Johanna Dolensky ◽  
Werner Seebacher ◽  
Eva-Maria Pferschy-Wenzig ◽  
...  
Keyword(s):  
Antiplasmodial Activity ◽  
Pharmacokinetic Parameters ◽  
Log P ◽  
Partial Structure ◽  
Substitution Pattern ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Multi Stage ◽  
Different Strains

The 2-phenoxybenzamide 1 from the Medicines for Malaria Venture Malaria Box Project has shown promising multi-stage activity against different strains of P. falciparum. It was successfully synthesized via a retrosynthetic approach. Subsequently, twenty-one new derivatives were prepared and tested for their in vitro activity against blood stages of the NF54 strain of P. falciparum. Several insights into structure-activity relationships were revealed. The antiplasmodial activity and cytotoxicity of compounds strongly depended on the substitution pattern of the anilino partial structure as well as on the size of substituents. The diaryl ether partial structure had further impacts on the activity. Additionally, several physicochemical and pharmacokinetic parameters were calculated (log P, log D7.4 and ligand efficiency) or determined experimentally (passive permeability and CYP3A4 inhibition). The tert-butyl-4-{4-[2-(4-fluorophenoxy)-3-(trifluoromethyl)benzamido]phenyl}piperazine-1-carboxylate possesses high antiplasmodial activity against P. falciparum NF54 (PfNF54 IC50 = 0.2690 µM) and very low cytotoxicity (L-6 cells IC50 = 124.0 µM) resulting in an excellent selectivity index of 460. Compared to the lead structure 1 the antiplasmodial activity was improved as well as the physicochemical and some pharmacokinetic parameters.

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