Multiple molecular targets mediated antioxidant activity, molecular docking, ADMET, QSAR and bioactivity studies of halo substituted urea derivatives of α-Methyl- -DOPA

2020 ◽  
Vol 97 ◽  
pp. 103708
Author(s):  
Nagalakshmamma Vadabingi ◽  
Vijaya Kumar Reddy Avula ◽  
Grigory V. Zyryanov ◽  
Swetha Vallela ◽  
Jaya Shree Anireddy ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Molecular Docking ◽  
Molecular Targets ◽  
Urea Derivatives ◽  
Methyl Dopa ◽  
Derivatives Of ◽  
Substituted Urea

Design, synthesis, molecular docking and cytotoxic activity of novel urea derivatives of 2-amino-3-carbomethoxythiophene

2020 ◽  
Vol 132 (1) ◽  
Author(s):  
Venugopalarao Vikram ◽  
Srinivasa R Penumutchu ◽  
Raviraj Vankayala ◽  
Suresh Thangudu ◽  
Karteek Rao Amperayani ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Cytotoxic Activity ◽  
Urea Derivatives ◽  
Design Synthesis ◽  
Derivatives Of

scholarly journals The Modification of Polyurethane Foams Using New Boroorganic Polyols: Obtaining of Polyols with the Use of Hydroxypropyl Urea Derivatives

2014 ◽  
Vol 2014 ◽  
pp. 1-9
Author(s):  
Iwona Zarzyka
Keyword(s):  
Physical Properties ◽  
Boric Acid ◽  
Propylene Carbonate ◽  
Spectral Characteristics ◽  
Polyurethane Foams ◽  
Thermal Stabilities ◽  
Urea Derivatives ◽  
Methods Of Synthesis ◽  
Derivatives Of ◽  
Substituted Urea

Methods of synthesis of new prospective polyol components for obtaining of polyurethane foams of reduced combustibility using eco-friendly substrates have been presented. With this end in view, N,N′-bis(2-hydroxypropyl)urea was esterified with boric acid and next the hydrogenborate obtained was hydroxyalkylated by the excess of propylene carbonate. The influence of the way of esterification on the hydroxypropyl derivatives of borate substituted urea properties has been investigated. Esterification was run in the presence and in the absence of solvent. According to instrumental analysis, the characteristic of hydrogenborates obtained in both methods was found to be similar. The hydroxypropyl derivatives of borate substituted urea show similar spectral characteristics and thermal stabilities and differ slightly in molar masses, by-product contents, and physical properties, particularly viscosities. The properties of these derivatives were assessed paying special attention to their application as the polyol components of polyurethane foams. Hydroxypropyl urea derivatives, modified by boric acid, show changes in physical properties with temperature, similarly to typical polyols used for obtaining of polyurethane foams.

Mono- and di-substituted urea derivatives of cyclodiphosphazane: [ClP(μ-NtBu)2PN(Me)CON(H)Me] and [Me(H)NCON(Me)P(μ-NtBu)]2

2007 ◽  
Vol 48 (13) ◽  
pp. 2283-2285 ◽  
Author(s):  
Devarajan Suresh ◽  
Maravanji S. Balakrishna ◽  
Joel T. Mague
Keyword(s):  
Urea Derivatives ◽  
Derivatives Of ◽  
Substituted Urea

Synthesis, Molecular Docking, in vitro Antiproliferative and Antioxidant Activity of Novel Pyrrolidinyl-Carbazole Derivatives

2018 ◽  
Vol 14 (8) ◽  
Author(s):  
Padmaja Pannala ◽  
Pedavenkatagari Narayana Reddy ◽  
Basireddy V. Subba Reddy ◽  
Sunil Misra ◽  
Koude Dhevendar ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Molecular Docking ◽  
Carbazole Derivatives

Design of Arylsulfonylhydrazones as Potential FabH Inhibitors: Synthesis, Antimicrobial Evaluation and Molecular Docking

2019 ◽  
Vol 15 ◽  
Author(s):  
Thais Batista Fernandes ◽  
Natanael Dante Segretti ◽  
Felipe Rebello Lourenço ◽  
Thalita Marcílio Cândido ◽  
André Rolim Baby ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Molecular Docking ◽  
Antimicrobial Agents ◽  
Acyl Carrier Protein ◽  
Condensation Reaction ◽  
Lung Fibroblast ◽  
Fibroblast Cells ◽  
Human Lung Fibroblast ◽  
Persistent Problem ◽  
E Coli

Background: Antimicrobial resistance is a persistent problem about infections treatment and carries needing for develop new antimicrobial agents. Inhibiting of bacterial β-ketoacyl acyl carrier protein synthase III (FabH), which catalyzes the condensation reaction between a CoA-attached acetyl group and an ACP-attached malonyl group in bacteria is an interesting strategy to find new antibacterial agents. Objective: The aim of this work was to design and synthesize arylsulfonylhydrazones potentially FabH inhibitors and evaluate their antimicrobial activity. Methods: MIC50 of sulfonylhydrazones against E. coli and S. aureus was determined. Antioxidant activity was evaluated by DPPH (1-1’-diphenyl-2-picrylhydrazyl) assay and cytotoxicity against LL24 lung fibroblast cells was verified by MTT method. Principal component analysis (PCA) was performed in order to suggest a structure-activity relationship. Molecular docking allowed to propose sulfonylhydrazones interactions with FabH. Results: The most active compound showed activity against S. aureus and E. coli, with MIC50 = 0.21 and 0.44 µM, respectively. PCA studies correlated better activity to lipophilicity and molecular docking indicated that sulfonylhydrazone moiety is important to hydrogen-bond with FabH while methylcatechol ring performs π-π stacking interaction. The DPPH assay revealed that some sulfonylhydrazones derived from the methylcatechol series had antioxidant activity. None of the evaluated compounds was cytotoxic to human lung fibroblast cells, suggesting that the compounds might be considered safe at the tested concentration. Conclusion: Arylsufonylhydrazones is a promising scaffold to be explored for design of new antimicrobial agents.

Synthesis, Cytotoxicity and Antioxidant Activity of New Analogs of RC-121 Synthetic Derivatives of Somatostatin

2019 ◽  
Vol 18 (10) ◽  
pp. 1417-1424 ◽  
Author(s):  
Emilia Naydenova ◽  
Diana Wesselinova ◽  
Svetlana Staykova ◽  
Ivan Goshev ◽  
Ljubomir Vezenkov
Keyword(s):  
Antioxidant Activity ◽  
Antioxidant Capacity ◽  
Cell Line ◽  
Cancer Cell ◽  
Cancer Cell Line ◽  
Colorectal Cancer Cell Line ◽  
Cervical Cancer Cell Line ◽  
Synthetic Derivatives ◽  
Derivatives Of

Background: Based on the structure of RC-121 (D-Phe-c (Cys-Tyr-D-Trp-Lys-Val-Cys)-Thr-NH2, - synthetic derivatives of somatostatin), some analogs were synthesized and tested for in vitro cytotoxic and antioxidant activity. Objectives: The new analogs were modifyed at position 5 with Dap (diaminopropanoic acid), Dab (diaminobutanoic acid) and Orn and at position 6 with the unnatural amino acids Tle (t-leucine). Methods: The in vitro cytotoxic effects of the substances were investigated against a panel of human tumor cell lines HT-29 (Human Colorectal Cancer Cell Line), MDA-MB-23 (Human Breast Cancer Cell Line), Hep G-2 (Human Hepatocellular Carcinoma Cell Line) and HeLa (cervical cancer cell line). The antioxidant capacities were tested by ORAC (Oxygen Radical Antioxidant Capacity) and HORAC (Hydroxyl Radical Averting Capacity) methods. Results: All substances expressed significantly higher antioxidant capacity by comparison with galic acid and Trolox. All substances showed considerable antioxidant capacity as well. Compound 2T (D-Phe-c(Cys-Tyr-DTrp- Dap-Tle-Cys)-Thr-NH2)had the highest antioxidant effect. The compound 4T (D-Phe-c(Cys-Tyr-D-Trp- Orn-Tle-Cys)-Thr-NH2) displayed antiproliferative effect on HeLa cells with IC50 30 µM. The peptide analog 3T (D-Phe-c(Cys-Tyr-D-Trp-Lys-Tle-Cys)-Thr-NH2) exerted the most pronounced inhibition on the cell vitality up to 53%, 56% and 65% resp. against MDA-MB-23, Hep G-2, HeLa in the higher tested concentration. Conclusion: The somatostatin analogs showed moderate influence on the vitality of different tumor cells and could be used in changing their pathology.

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