Synthesis, characterization and preliminary study on acetylpyrazine N(4)butylthiosemicarbazone as a potential CDK2 inhibitor combined with DFT calculations
In this study, a new thiosemicarbazone ligand, namely acetylpyrazine N(4)butylthiosemicarbazone (APBT), was synthesized and characterized using 1H and 13C nuclear magnetic resonance (NMR) and Fourier transform infrared (FTIR) spectroscopies. Quantum chemical calculations were performed using density...
| Main Authors: | Abdullah, Erna Normaya, Ahmad, Mohammad Norazmi, Abdul Aziz, Yang Farina, Ku Bulat, Ku Halim |
|---|---|
| Format: | Article |
| Language: | English English |
| Published: |
JBCS Editorial and Publishing Office
2018
|
| Subjects: | |
| Online Access: | http://irep.iium.edu.my/63804/ http://irep.iium.edu.my/63804/13/63804_Synthesis%2C%20characterization%20and%20preliminary%20study%20on%20acetylpyrazine_article.pdf http://irep.iium.edu.my/63804/7/63804%20Synthesis%2C%20Characterization%20and%20Preliminary%20Study%20WOS.pdf |
Similar Items
DFT/TD-DFT study on development and optimization of 1- anilino-3- phenyliminourea as a colorimetric chemosensor for Hg2+ recognition in aqueous medium
by: Abdullah, Erna Normaya, et al.
Published: (2020)
by: Abdullah, Erna Normaya, et al.
Published: (2020)
Chemosensor development for cobalt ion recognition using 2-acetylpyrazine thiosemicarbazone: experimental and theoretical approach
by: Ismail, Hakimah, et al.
Published: (2019)
by: Ismail, Hakimah, et al.
Published: (2019)
COSMO-RS and DFT studies on development and optimization of quercetin as a chemosensor for Fe3þ recognition in aqueous medium
by: Abdullah, Erna Normaya, et al.
Published: (2019)
by: Abdullah, Erna Normaya, et al.
Published: (2019)
Chemosensor development of Cu2+ recognition using 1,5-diphenylthiocarbazone: optimization, COSMO-RS and DFT studies
by: Abdullah, Erna Normaya, et al.
Published: (2019)
by: Abdullah, Erna Normaya, et al.
Published: (2019)
2-acetylthiophene thiosemicarbazone as mushroom tyrosinase inhibitor: insights from kinetic, RDG, molecular docking, and DFT studies
by: Ahmad, Mohammad Norazmi, et al.
Published: (2019)
by: Ahmad, Mohammad Norazmi, et al.
Published: (2019)
Preliminary study in discovering 2-propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)- from syzygium aqueum leaves as a tyrosinase inhibitor in food product: experimental and theoretical approach
by: Zarudin, Nurul Husna, et al.
Published: (2019)
by: Zarudin, Nurul Husna, et al.
Published: (2019)
Molecular profiling and combinatorial activity of CCT068127: a potent CDK2 and CDK9 inhibitor
by: Whittaker, Steven R., et al.
Published: (2018)
by: Whittaker, Steven R., et al.
Published: (2018)
(1E)-1-(2-pyrazinyl)ethanone thiosemicarbazone (PT) as a tyrosinase inhibitor with anti-browning activity: Spectroscopy, DFT and molecular docking studies
by: Syamimi Sulfiza, Shamsuri, et al.
Published: (2023)
by: Syamimi Sulfiza, Shamsuri, et al.
Published: (2023)
Preliminary study on developing 1,5-Diphenylcarbozone as a chemosensor againts Hg2+ ions recognition in aqueous media
by: Abdullah, Erna Normaya, et al.
Published: (2019)
by: Abdullah, Erna Normaya, et al.
Published: (2019)
Synthesis, spectroscopic characterizations, TD/DFT calculations, colorimetric metal ions, and molecular docking studies of a novel 3-acetylpyridine 2-hyrdoxyphenyl thiosemicarbazone
by: Erna Normaya, ., et al.
Published: (2024)
by: Erna Normaya, ., et al.
Published: (2024)
Artocarpus altilis extracts as a foodborne pathogen and oxidation inhibitors: RSM, COSMO RS, and molecular docking approaches
by: Ahmad, Mohammad Norazmi, et al.
Published: (2020)
by: Ahmad, Mohammad Norazmi, et al.
Published: (2020)
Artocarpus altilis extracts as a food-borne pathogen and oxidation inhibitors : RSM, COSMO RS, and molecular docking approaches
by: Mohammad Norazmi, Ahmad, et al.
Published: (2020)
by: Mohammad Norazmi, Ahmad, et al.
Published: (2020)
Design, synthesis, and optimisation of highly selective macrocyclic CDK9 inhibitors
by: Gao, Rui
Published: (2018)
by: Gao, Rui
Published: (2018)
Ultraviolet photofragmentation spectroscopy of metal dication sandwich complexes in the gas phase combined with DFT/TDDFT calculations
by: Ma, Lifu
Published: (2013)
by: Ma, Lifu
Published: (2013)
DFT calculation of vibrations in the clusters of zinc and oxygen atoms
by: Ahmad Nazrul Rosli,, et al.
Published: (2013)
by: Ahmad Nazrul Rosli,, et al.
Published: (2013)
Chemosensor development of cu2+ recognition using 1,5-diphenylcarbazone: optimization, cosmo-RS and DFT studies
by: Ismail, Nur Hakimah, et al.
Published: (2018)
by: Ismail, Nur Hakimah, et al.
Published: (2018)
Density functional theory studies on vibrational spectra (E)-N-(4-carboxylphenyl)-2-(1-(pyrazin-2- yl)ethylidene) hydrazinecarbothioamide
by: Abdullah, Erna Normaya, et al.
Published: (2013)
by: Abdullah, Erna Normaya, et al.
Published: (2013)
Comparative analysis of the surface interaction properties of the binding sites of CDK2, CDK4 and ERK2
by: Kelly, M., et al.
Published: (2006)
by: Kelly, M., et al.
Published: (2006)
CDK9 inhibitors define elongation checkpoints at both ends of
RNA polymerase II-transcribed genes
by: Laitem, Clélia, et al.
Published: (2015)
by: Laitem, Clélia, et al.
Published: (2015)
Density functional theory studies on synthesis, chracterization and antibacterial activity of heteroaromatic substitution on 4n-thiosemicarbazone
by: Abdullah, Erna Normaya, et al.
Published: (2018)
by: Abdullah, Erna Normaya, et al.
Published: (2018)
A quinoline-based fluorescent labelling for zinc detection and DFT calculations
by: Nur Syamimi Mohamad,, et al.
Published: (2022)
by: Nur Syamimi Mohamad,, et al.
Published: (2022)
Optimization of a protease extraction using a statistical approach for the production of an alternative meat tenderizer from Manihot esculenta roots
by: Ahmad, Mohammad Norazmi, et al.
Published: (2020)
by: Ahmad, Mohammad Norazmi, et al.
Published: (2020)
Predicting Larger Absorption Cross-Section in Porphyrin Dyes using DFT Calculations
by: Yasin, Amina, et al.
Published: (2015)
by: Yasin, Amina, et al.
Published: (2015)
Evaluation of heat capacity of CdSe quantum dots using DFT calculations
by: Amirul Edham, Roslee
Published: (2017)
by: Amirul Edham, Roslee
Published: (2017)
Synthesis, characterization,reaction mechanism and theoreticalstudy of anntimicrobial inhibitor from heteroaromatics based thiosemicarbazone
by: Jori Roslan, Muhammad Qusyairi, et al.
Published: (2018)
by: Jori Roslan, Muhammad Qusyairi, et al.
Published: (2018)
Novel Structural Features of CDK Inhibition Revealed by an ab Initio Computational MethodCombined with Dynamic Simulations
by: Heady, L., et al.
Published: (2006)
by: Heady, L., et al.
Published: (2006)
The applicability of using a protease extracted from cashew fruits (Anacardium occidentale), as possible meat tenderizer: an experimental design approach
by: Ahmad, Mohammad Norazmi, et al.
Published: (2020)
by: Ahmad, Mohammad Norazmi, et al.
Published: (2020)
The effect of tightly-bound water molecules on scaffold diversity in computer-aided de novo ligand design of CDK2 inhibitors
by: Garcia-sosa, A., et al.
Published: (2006)
by: Garcia-sosa, A., et al.
Published: (2006)
Synthesis of bioactive Schiff base thiosemicarbazone analogs with quinoline for high-performance copper corrosion inhibition: Insights from RSM-assisted EIS, XPS, DFT, and MD studies
by: Muhammad Ammar, Mohamad Alwi, et al.
Published: (2025)
by: Muhammad Ammar, Mohamad Alwi, et al.
Published: (2025)
Preliminary study in discovering 2-geranylphenol from Lansium domesticum leaves as oxidation and tyrosinase inhibitor for anti-aging and skin whitening agents: experimental and theoretical study
by: Abdul Razak, Nur Diana, et al.
Published: (2019)
by: Abdul Razak, Nur Diana, et al.
Published: (2019)
Analysis of CDK13-related disorder in a mouse model
by: Abbad, Aseel
Published: (2024)
by: Abbad, Aseel
Published: (2024)
Discovery Of New Potential Pyrido[2,3-D]Pyrimidin-7-One Based Cdk4 Inhibitors Using Molecular Modelling Approaches
by: Al Attraqchi, Omar Husham Ahmed
Published: (2023)
by: Al Attraqchi, Omar Husham Ahmed
Published: (2023)
Optimization of a protease extraction using a statistical approach for the production of an alternative meat tenderizer from Spondias cytherea roots
by: Ahmad, Mohammad Norazmi, et al.
Published: (2019)
by: Ahmad, Mohammad Norazmi, et al.
Published: (2019)
Optimization of a protease extraction using a statistical approach for the production of an alternative meat tenderizer from Spondias cytherea roots
by: Mohammad Norazmi, Ahmad, et al.
Published: (2019)
by: Mohammad Norazmi, Ahmad, et al.
Published: (2019)
The effect of tip structure in atomic manipulation : a combined DFT and AFM study.
by: Jarvis, Samuel Paul
Published: (2012)
by: Jarvis, Samuel Paul
Published: (2012)
Experimental and DFT calculations for C/ZnO@S cathode and prelithiation Si anode for advanced sulfur-based batteries
by: Kiai, Maryam Sadat, et al.
Published: (2025)
by: Kiai, Maryam Sadat, et al.
Published: (2025)
Simplified Method for Calculating Hydrocarbons Solubilities in Hydrate Inhibitors
by: Bahadori, Alireza, et al.
Published: (2008)
by: Bahadori, Alireza, et al.
Published: (2008)
A Cdk1 phosphomimic mutant of MCAK impairs microtubule end recognition
by: Belsham, Hannah R., et al.
Published: (2017)
by: Belsham, Hannah R., et al.
Published: (2017)
The relationship of CDK18 expression in breast cancer to clinicopathological parameters and therapeutic response
by: Barone, Giancarlo, et al.
Published: (2018)
by: Barone, Giancarlo, et al.
Published: (2018)
Gene expression of CDK6 and CCND1 genes in basal cell carcinoma
by: Eshkoor, Sima Ataollahi, et al.
Published: (2008)
by: Eshkoor, Sima Ataollahi, et al.
Published: (2008)
Similar Items
-
DFT/TD-DFT study on development and optimization of 1- anilino-3- phenyliminourea as a colorimetric chemosensor for Hg2+ recognition in aqueous medium
by: Abdullah, Erna Normaya, et al.
Published: (2020) -
Chemosensor development for cobalt ion recognition using 2-acetylpyrazine thiosemicarbazone: experimental and theoretical approach
by: Ismail, Hakimah, et al.
Published: (2019) -
COSMO-RS and DFT studies on development and optimization of quercetin as a chemosensor for Fe3þ recognition in aqueous medium
by: Abdullah, Erna Normaya, et al.
Published: (2019) -
Chemosensor development of Cu2+ recognition using 1,5-diphenylthiocarbazone: optimization, COSMO-RS and DFT studies
by: Abdullah, Erna Normaya, et al.
Published: (2019) -
2-acetylthiophene thiosemicarbazone as mushroom tyrosinase inhibitor: insights from kinetic, RDG, molecular docking, and DFT studies
by: Ahmad, Mohammad Norazmi, et al.
Published: (2019)