Discovery of N-Aroyl Diketone/Triketone Derivatives as Novel 4-Hydroxyphenylpyruvate Dioxygenase Inhibiting-Based Herbicides

Y Fu, D Zhang, SQ Zhang, YX Liu, YY Guo… - Journal of agricultural …, 2019 - ACS Publications
4-Hydroxyphenylpyruvate dioxygenase (HPPD, EC 1.13. 11.27) is an important target site
for discovering new bleaching herbicides. To explore novel HPPD inhibitors with excellent …

Synthesis, DFT study, molecular docking and drug‐likeness analysis of the new Hydrazine‐1‐carbothioamide, triazole and thiadiazole derivatives: potential inhibitors …

İ Çapan, S Servi, İ Yıldırım, Y Sert - ChemistrySelect, 2021 - Wiley Online Library
In this research, the new hydrazine‐1‐carbothioamides (IC32 and IC34) having
unsubstituted benzimidazole skeleton were converted to 1, 2, 4‐triazole derivatives (IC42 …

Insight into the theoretical and experimental studies of 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone N (4)-methyl-N (4)-phenylthiosemicarbazone-A potential NLO …

KG Sangeetha, KK Aravindakshan… - Journal of Molecular …, 2017 - Elsevier
The synthesis, geometrical parameters, spectroscopic studies, optimised molecular
structure, vibrational analysis, Mullikan population analysis, MEP, NBO, frontier molecular …

Designing of diamino based esterases inhibitors; synthesis, characterization, density functional theory and molecular modeling

MA Raza, K Fatima, Z Saqib, JK Maurin… - Journal of Molecular …, 2019 - Elsevier
Synthetic chemistry and drug design through different software is becoming more and more
important nowadays. In this modern era each person is suffering from many diseases due to …

Synthesis, Crystal Structure, and DFT Calculations of 1, 3‐Diisobutyl Thiourea

AA Altaf, A Shahzad, Z Gul, SA Khan… - Journal of …, 2015 - Wiley Online Library
1, 3‐Diisobutyl thiourea was synthesized and characterized by single crystal X‐ray
diffraction. It gives a monoclinic (α= γ= 90 and β≠ 90) structure with the space group P21/c …

Synthesis characterization and DFT calculations of 2, 5-substituted thiophene derivatives

E Khan, SA Khan, A Shahzad, A Noor - Journal of Chemical …, 2015 - Springer
Abstract Thiophene-2, 5-dicarbonyl dichloride was treated with pyrazole and 3-
methylpyrazole (3-MePz) in the presence of trimethylamine. Under normal conditions at …

Investigation on growth, structural, DFT and third-order nonlinear optical studies of cyclohexylammonium 4-nitrobenzoate for optical limiting applications

R Gomathi, R Ganesamoorthy, DR Babu… - Indian Journal of …, 2022 - Springer
Abstract Cyclohexylammonium 4-nitrobenzoate (CYH4NBA) organic nonlinear optical
material was crystallized using slow evaporation solution growth method and characterized …

X-Ray Diffraction and Theoretical Approach to the Molecular Structure of (E)-2-(2-(1, 3-dioxoisoindolin-2-yl)-1-(3-phenyl-3-methylcyclobutyl) ethylidene) hydrazine …

B Yılmaz, H Saraçoğlu, N Çalışkan, I Yilmaz… - Journal of Chemical …, 2012 - Springer
Abstract The title molecule (I),(E)-2-(2-(1, 3-dioxoisoindolin-2-yl)-1-(3-phenyl-3-
methylcyclobutyl) ethylidene) hydrazine carboxamide (C 22 H 22 N 4 O 3), was synthesized …

Synthesis candidates herbicide through optimization quinclorac containing 3-methyl-1H-pyrazol-5-yl

D Luo, H Bai, X Zhou, L Wu, C Zhang, Z Wu, Z Li… - Frontiers in …, 2021 - frontiersin.org
To enhance quinclorac potency, twenty-five derivatives were synthesized containing 3-
methyl-1H-pyrazol-5-yl by intermediate derivatization methods (IDMs). These compounds …

Synthetic Procedures to Access 2-Guanidinobenzazoles of Biological Interest

MC Rosales-Hernández… - Current Organic …, 2023 - ingentaconnect.com
Benzazoles (Bz) and derivatives are interesting molecules in medicinal chemistry. Several of
these compounds display diverse biological activities; some are still used in clinical …