Facile synthesis, crystal structure and bioactivity evaluation of two novel barium complexes based on 2,4,6-trichlorophenoxyacetic acid and o-ferrocenylcarbonyl benzoic acid

2017 ◽  
Vol 41 (22) ◽  
pp. 13319-13326 ◽  
Author(s):  
Xiuling Xu ◽  
Fan Hu ◽  
Qi Shuai
Keyword(s):  
Crystal Structure ◽  
Antifungal Activity ◽  
Benzoic Acid ◽  
Microwave Method ◽  
Facile Synthesis ◽  
Trichlorophenoxyacetic Acid ◽  
First Time

With a microwave method, two novel Ba(ii) complexes were synthesized for the first time and their allelopathic and antifungal activity was evaluated.

scholarly journals Antifungal Activity of Chemical Constituents from Piper pesaresanum C. DC. and Derivatives against Phytopathogen Fungi of Cocoa

Molecules ◽  
2021 ◽  
Vol 26 (11) ◽  
pp. 3256
Author(s):  
Luis C. Chitiva-Chitiva ◽  
Cristóbal Ladino-Vargas ◽  
Luis E. Cuca-Suárez ◽  
Juliet A. Prieto-Rodríguez ◽  
Oscar J. Patiño-Ladino
Keyword(s):  
Antifungal Activity ◽  
Benzoic Acid ◽  
Chemical Constituents ◽  
Chemical Study ◽  
Positive Control ◽  
Positive Influence ◽  
Phytopathogenic Fungi ◽  
Phytochemical Study ◽  
Benzoic Acid Derivatives ◽  
First Time

In this study, the antifungal potential of chemical constituents from Piper pesaresanum and some synthesized derivatives was determined against three phytopathogenic fungi associated with the cocoa crop. The methodology included the phytochemical study on the aerial part of P. pesaresanum, the synthesis of some derivatives and the evaluation of the antifungal activity against the fungi Moniliophthora roreri, Fusarium solani and Phytophthora sp. The chemical study allowed the isolation of three benzoic acid derivatives (1–3), one dihydrochalcone (4) and a mixture of sterols (5–7). Seven derivatives (8–14) were synthesized from the main constituents, of which compounds 9, 10, 12 and 14 are reported for the first time. Benzoic acid derivatives showed strong antifungal activity against M. roreri, of which 11 (3.0 ± 0.8 µM) was the most active compound with an IC50 lower compared with positive control Mancozeb® (4.9 ± 0.4 µM). Dihydrochalcones and acid derivatives were active against F. solani and Phytophthora sp., of which 3 (32.5 ± 3.3 µM) and 4 (26.7 ± 5.3 µM) were the most active compounds, respectively. The preliminary structure–activity relationship allowed us to establish that prenylated chains and the carboxyl group are important in the antifungal activity of benzoic acid derivatives. Likewise, a positive influence of the carbonyl group on the antifungal activity for dihydrochalcones was deduced.

One-pot facile synthesis, crystal structure and antifungal activity of 1,2,3-triazoles bridged with amine-amide functionalities

2019 ◽  
Vol 49 (1) ◽  
pp. 118-128 ◽  
Author(s):  
C. P. Kaushik ◽  
Raj Luxmi ◽  
Mukesh Kumar ◽  
Dharmendra Singh ◽  
Krishan Kumar ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Antifungal Activity ◽  
Facile Synthesis ◽  
One Pot

Facile synthesis, crystal structure and antifungal activity of dimethylated trifluoroatrolactamide derivatives

2016 ◽  
Vol 43 (4) ◽  
pp. 2377-2385 ◽  
Author(s):  
Hui-Hui Yang ◽  
Cong Zhu ◽  
Can Cui ◽  
Jian-Qiang Li ◽  
Wei-Guang Zhao ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Antifungal Activity ◽  
Facile Synthesis

scholarly journals Investigation of Solubility Behavior of Canagliflozin Hydrate Crystals Combining Crystallographic and Hirshfeld Surface Calculations

Molecules ◽  
2021 ◽  
Vol 26 (2) ◽  
pp. 298
Author(s):  
Yefen Zhu ◽  
Yanlei Kang ◽  
Ling Zhu ◽  
Kaxi Yu ◽  
Shuai Chen ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Intermolecular Forces ◽  
Hirshfeld Surface ◽  
Reversible Inhibitor ◽  
Solubility Behavior ◽  
Hydrogen Bond Networks ◽  
Solvent Molecules ◽  
First Time ◽  
Better Than

Canagliflozin (CG) was a highly effective, selective and reversible inhibitor of sodium-dependent glucose co-transporter 2 developed for the treatment of type 2 diabetes mellitus. The crystal structure of CG monohydrate (CG-H2O) was reported for the first time while CG hemihydrate (CG-Hemi) had been reported in our previous research. Solubility and dissolution rate results showed that the solubility of CG-Hemi was 1.4 times higher than that of CG-H2O in water and hydrochloric acid solution, and the dissolution rates of CG-Hemi were more than 3 folds than CG-H2O in both solutions. Hirshfeld surface analysis showed that CG-H2O had stronger intermolecular forces than CG-Hemi, and water molecules in CG-H2O participated three hydrogen bonds, forming hydrogen bond networks. These crystal structure features might make it more difficult for solvent molecules to dissolve CG-H2O than CG-Hemi. All these analyses might explain why the dissolution performance of CG-Hemi was better than CG-H2O. This work provided an approach to predict the dissolution performance of the drug based on its crystal structure.

Synthesis, crystal structure and photoluminescence properties of Eu2+-activated RbCaGd(PO4)2 phosphors

RSC Advances ◽  
2016 ◽  
Vol 6 (14) ◽  
pp. 11211-11217 ◽  
Author(s):  
Xue Chen ◽  
Qidi Wang ◽  
Fengzhu Lv ◽  
Paul K. Chu ◽  
Yihe Zhang
Keyword(s):  
Crystal Structure ◽  
Sol Gel ◽  
Dipole Interaction ◽  
Concentration Quenching ◽  
Photoluminescence Properties ◽  
Gel Method ◽  
Sol Gel Method ◽  
First Time

RbCaGd(PO4)2:Eu2+ was prepared by the Pechini-type sol–gel method. The crystal structure was determined in the first time. The dipole–dipole interaction plays a major role in the mechanism of concentration quenching of Eu2+ in this phosphor.

The cyclometallation of benzoic acid and the X-ray crystal structure of [C5Me5Ir(O2CC6H4)(Me2SO)]

1985 ◽  
pp. 770 ◽  
Author(s):  
Jonathan M. Kisenyi ◽  
Javier A. Cabeza ◽  
Arnold J. Smith ◽  
Harry Adams ◽  
Glenn J. Sunley ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Benzoic Acid ◽  
X Ray

scholarly journals Microwave-Assisted Facile Synthesis and Crystal Structure of cis-9,10,11,15-Tetrahydro-9,10[3′,4′]-furanoanthracene-12,14-dione.

ChemInform ◽  
2006 ◽  
Vol 37 (34) ◽  
Author(s):  
Weerachai Phutdhawong ◽  
Duang Buddhasukh ◽  
Stephen G. Pyne ◽  
Apinpus Rujiwatra ◽  
Chaveng Pakawatchai
Keyword(s):  
Crystal Structure ◽  
Facile Synthesis ◽  
Synthesis And Crystal Structure ◽  
Microwave Assisted

scholarly journals Specificity of Human Sulfiredoxin for Reductant and Peroxiredoxin Oligomeric State

Antioxidants ◽  
2021 ◽  
Vol 10 (6) ◽  
pp. 946
Author(s):  
Tom E. Forshaw ◽  
Julie A. Reisz ◽  
Kimberly J. Nelson ◽  
Rajesh Gumpena ◽  
J. Reed Lawson ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Antioxidant Enzymes ◽  
Hydrogen Sulfide ◽  
Active Site ◽  
Relative Efficacy ◽  
Oligomeric Structure ◽  
Cellular Functions ◽  
Oligomeric State ◽  
Structural Requirements ◽  
First Time

Human peroxiredoxins (Prx) are a family of antioxidant enzymes involved in a myriad of cellular functions and diseases. During the reaction with peroxides (e.g., H2O2), the typical 2-Cys Prxs change oligomeric structure between higher order (do)decamers and disulfide-linked dimers, with the hyperoxidized inactive state (-SO2H) favoring the multimeric structure of the reduced enzyme. Here, we present a study on the structural requirements for the repair of hyperoxidized 2-Cys Prxs by human sulfiredoxin (Srx) and the relative efficacy of physiological reductants hydrogen sulfide (H2S) and glutathione (GSH) in this reaction. The crystal structure of the toroidal Prx1-Srx complex shows an extended active site interface. The loss of this interface within engineered Prx2 and Prx3 dimers yielded variants more resistant to hyperoxidation and repair by Srx. Finally, we reveal for the first time Prx isoform-dependent use of and potential cooperation between GSH and H2S in supporting Srx activity.

scholarly journals CRYSTAL STRUCTURE OF 3,4-DIHYDROXY-5-GERANYL-BENZOIC ACID

2016 ◽  
Vol 61 (3) ◽  
pp. 3136-3139
Author(s):  
IVÁN BRITO ◽  
MARIO J SIMIRGIOTIS ◽  
MARIA AVENDAÑO ◽  
ALEJANDRA BRAVO ◽  
JORGE BORQUEZ ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Benzoic Acid
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