A Catalyst‐ and Solvent‐Free Selective Approach to Biologically Important Quinazolines and Benzo[g]quinazoline.

Kumar, Vipan; Mohan, Chander; Gupta, Manish; Mahajan, Mohinder P.

doi:10.1002/chin.200531148

Cited by 6 publications

(6 citation statements)

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“…Natural products demonstrate a wide range spectrum of biological activities with a high potential for medicinal applications [10]. 1,2,4,5-Tetrazine and its derivatives were found to have a high potential of biological properties including as anti-inflammatory, anti-malarial, anti-viral, anti-mite, herbicidal, antibacterial activities, also possess antitumor activity [11, 12, 13, 14, 15, 16, 17] and have been used as pesticides and herbicides [18].…”

Section: Introductionmentioning

confidence: 99%

DFT-based reactivity and combined QSAR, molecular docking of 1,2,4,5-Tetrazine derivatives as inhibitors of Pim-1 kinase

Hazhazi

Melkemi

Salah

et al. 2019

Heliyon

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In the present work we have calculated several DFT reactivity descriptors for 1,2,4,5-Tetrazine at the B3LYP/6–311++G(d,p) level of theory in order to analyze its reactivity in vacuum and solvent phases. Whereas, the influence of the solvent was taken into account employing the PCM model. DFT-based descriptors such as (electronic chemical potential, electrophilicity, condensed Fukui function….) have been determined to predict the reactivity of 1,2,4,5-Tetrazine. A series of eighteen 1,2,4,5-Tetrazine derivatives was studied by using two computational techniques, namely, quantitative structure activity relationship (QSAR) and molecular docking. QSAR models of the antitumor activity of some 1,2,4,5-Tetrazine derivatives were established in gas and solvent phases which exhibited good statistical values for both cases. Whereas, multiple linear regression (MLR) procedure was used to obtain the best QSAR models and the leave-one-out (LOO) method to estimate the predictivity of our models. The most and the least active compounds were docked with the protein (3C4E) to confirm those obtained results from QSAR models and elucidate the binding mode between this type of compounds and corresponding protein.

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Section: Introductionmentioning

confidence: 99%

DFT-based reactivity and combined QSAR, molecular docking of 1,2,4,5-Tetrazine derivatives as inhibitors of Pim-1 kinase

Hazhazi

Melkemi

Salah

et al. 2019

Heliyon

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“…Vibration intensity is major importance which has a direct relation with vehicle speed; so often an increase of speed is unbearable. That is why the operators feel discomfort in driving the larger tractors at high speed and full nominal power [1]. The characteristics of air springs, such as the effects of bellows and those of heat transfer on spring constant and damping factor, have been studied [2].…”

Section: Introductionmentioning

confidence: 99%

Suspension damping optimization using genetic algorithms

Hemati¹,

Shooshtari

2019

International Journal of Automotive Engineering and Technologies

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Vehicle ride comfort is a function of the frequency of transmitting vibrations to passengers from road irregularities. The objective of this research is to provide a systematic method into the requirement of the passive suspension based on genetic algorithm (GA). Objective function of GA method is driver's seat acceleration to provide driver ride comfort. The passive suspension damping coefficient and driver's seat suspension damping coefficient have been optimized. In this paper, a vehicle with eight degrees of freedom has been simulated to achieve driver's seat comfort. Analytical results explained by mathematical equations presented in the graphical form have been included.

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“…4 In 2005, Mahajan reported a microwave-promoted synthesis of quinazolines from N-arylamidines and aldehydes (scheme 1, B). 5 Alternatively, the reaction of 2-halophenyl ketone with guanidine derivatives in the presence of copper catalyst yielded 2-aminoquinazoline derivatives (scheme 1, C). 6 These reactions suffer from harsh reaction conditions using microwaves, use of reactive metal catalysts and expensive boronated pre-functionalized starting materials, which limits ligand diversity and scale up processes.…”

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confidence: 99%

A simple and efficient approach for the synthesis of 2-aminated quinazoline derivatives via metal free oxidative annulation

Pandya

Villa

North

2017

Tetrahedron Letters

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A simple and efficient approach for the synthesis of 2-aminoquinazoline derivatives in moderate to good yields. This reaction employs mild reaction conditions, is metal-free and utilizes readily available starting materials making it a more viable reaction for the scale up synthesis and ligand diversity. Notably, this methodology allows the synthesis of 2-aminoquinazolines using a free amine or cyclic amine enabling structural diversity and good atom economy.

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A Catalyst‐ and Solvent‐Free Selective Approach to Biologically Important Quinazolines and Benzo[g]quinazoline.

Abstract: Quinazolines and Benzo[g]quinazoline. -(KUMAR, V.; MOHAN, C.; GUPTA, M.; MAHAJAN*, M. P.; Tetrahedron 61 (2005) 14, 3533-3538; Dep. Appl. Chem. Sci. Technol., Guru Nanak Dev Univ., Amritsar 143 005, India; Eng.) -Klein 31-148

Cited by 6 publications

References 1 publication

DFT-based reactivity and combined QSAR, molecular docking of 1,2,4,5-Tetrazine derivatives as inhibitors of Pim-1 kinase

DFT-based reactivity and combined QSAR, molecular docking of 1,2,4,5-Tetrazine derivatives as inhibitors of Pim-1 kinase

Suspension damping optimization using genetic algorithms

A simple and efficient approach for the synthesis of 2-aminated quinazoline derivatives via metal free oxidative annulation

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