Ring Functionalization and Molecular Hybridization of Quinolinyl Pyrazole: Design, Synthesis and Antimycobacterial Activity

2017 ◽  
Vol 2 (22) ◽  
pp. 6529-6534
Author(s):  
Venkatesham Rachakonda ◽  
Sudha Sravanti Kotapalli ◽  
Ramesh Ummanni ◽  
Manjula Alla
Keyword(s):  
Antimycobacterial Activity ◽  
Molecular Hybridization ◽  
Design Synthesis

Design, Synthesis and Evaluation of Aryloxybenzylidene Hydrazinyl-Benzoxazoles/Benzothiazoles Analogs as Antimycobacterial Agents

2020 ◽  
Vol 5 (3) ◽  
pp. 185-191
Author(s):  
G. Aruna ◽  
Ravindra Kulkarni ◽  
Baswaraj Machaa ◽  
Malathi Jojula ◽  
Shravan Gunda ◽  
...  
Keyword(s):  
Spectral Data ◽  
Condensation Reaction ◽  
Antitubercular Activity ◽  
Antimycobacterial Activity ◽  
Molecular Hybridization ◽  
Design Synthesis ◽  
Antitubercular Drugs ◽  
Pantothenate Synthetase ◽  
Antimycobacterial Agents ◽  
Mic Value

Substituted 2-(2-(4-aryloxybenzylidene)hydrazinyl)benzothiazole/benzoxazoles series were designed through molecular hybridization and synthesized in condensation reaction of hydrazinylbenzothiazole/ benzoxazole with substituted aryloxy benzaldehydes. All the synthesized compounds were assigned structure based on spectral data and were evaluated for antimycobacterial activity. Among both benzothiazole and benzoxazole derivatives, the compounds 8f and 9e were found to show most potent antitubercular activity with MIC value of 0.89 and 0.92 μM which are on a par with those of standard antitubercular drugs. In order to know the binding interactions of all the compounds were docked within the mycobacterial pantothenate synthetase, which showed interactions with Asp88, Arg200, Ser196, Asn199, Met 195 and Lys 160 of pantothenate synthetase.

Design, synthesis and antimycobacterial activity of cinnamide derivatives: A molecular hybridization approach

2011 ◽  
Vol 21 (7) ◽  
pp. 1997-1999 ◽  
Author(s):  
Manoj D. Kakwani ◽  
Prashant Suryavanshi ◽  
Muktikant Ray ◽  
M.G.R. Rajan ◽  
Sharmila Majee ◽  
...  
Keyword(s):  
Antimycobacterial Activity ◽  
Molecular Hybridization ◽  
Design Synthesis

scholarly journals DESIGN, SYNTHESIS AND ANTICONVULSANT PROFILE OF 5-(BENZO [D][1,3]DIOXOL-5-YL)-3-TERT-BUTYL-4, 5-DIHYDROPYRAZOLE DERIVATIVES

2017 ◽  
Vol 9 (6) ◽  
pp. 180
Author(s):  
Mohammed Farrag El-behairy ◽  
Hanan Naeim Hafez Attia
Keyword(s):  
Wide Spectrum ◽  
Biological Evaluation ◽  
Synthetic Methods ◽  
Molecular Hybridization ◽  
Lead Compound ◽  
Design Synthesis ◽  
Reference Drug ◽  
Spectral Techniques ◽  
Tert Butyl ◽  
In Series

Objective: Utilisation of the ligand-based design and molecular hybridization to design promising candidates with prospective efficacy and safety. Synthesis of the designed candidates using different synthetic methods. Biological evaluation of the newly synthesised candidates as anticonvulsant agents.Methods: Three novel series of 5-(benzo[d][1,3]dioxol-5-yl)-3-tert-butyl-4,5-dihydropyrazoles have been designed via ligand-based drug discovery and molecular hybridization. Proper synthetic routes have been followed in the preparation of compounds (2-23) which have been characterised by different spectral techniques. Antiepileptic potential was assessed by biological evaluation using ‘classical’ animal models of epilepsy, in addition to rotarod test for toxicity.Results: 4-Nitrophenyl derivatives (5, 13, and19) displayed the highest potency. Compound 5was the most active substituent in series A (N'-aroyl-3-tert-butyl-4,5-dihydro-1H-pyrazole-1-carbohydrazide). It was 2.7 and 1.3 times more active than reference drug Stiripentol (I) and lead compound III, respectively. Compound13 was the best candidate in series B (N'-arylidene-3-tert-butyl-4,5-dihydro-1H-pyrazole-1-carbohydrazide). It was 3.3, 1.5, and 1.2 times more potent than Stiripentol, lead compound III and new compound 5, respectively. Two members (19 and 21) of series C (1,3,4-oxadiazole derivatives) achieved 100 % protection at lower doses than I and III, being 2.6 and 2.4 times more active than Stiripentol. In scPTZ screen, the most active congeners (5, 13, 19) exhibited ED50 values of 45, 48, and 81 mg/kg, respectively, which are highly superior as compared to that of reference drug Stiripentol(I) and lead compound III (ED50 115 and 110 mg/kg, respectively).Conclusion: Ligand-based design together with molecular hybridization in drug design succeeded to produce potent and wide spectrum candidates.

scholarly journals Design, synthesis and antimycobacterial activity of thiazolidine-2,4-dione-based thiosemicarbazone derivatives

2020 ◽  
Vol 97 ◽  
pp. 103676 ◽  
Author(s):  
Nazar Trotsko ◽  
Joanna Golus ◽  
Paulina Kazimierczak ◽  
Agata Paneth ◽  
Agata Przekora ◽  
...  
Keyword(s):  
Antimycobacterial Activity ◽  
Design Synthesis

Phenothiazine and amide-ornamented dihydropyridines via a molecular hybridization approach: design, synthesis, biological evaluation and molecular docking studies

2019 ◽  
Vol 43 (43) ◽  
pp. 17046-17057
Author(s):  
Ramar Sivaramakarthikeyan ◽  
Shunmugam Iniyaval ◽  
Krishnaraj Padmavathy ◽  
Hui-Shan Liew ◽  
Chin-King Looi ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Molecular Hybridization ◽  
Design Synthesis ◽  
Spectral Techniques ◽  
Molecular Docking Studies ◽  
Synthetic Strategy

A series of novel phenothiazinyldihydropyridine dicarboxamides 7a–7j was synthesized by adopting a multi-step synthetic strategy and characterized through physical and spectral techniques.

Design, synthesis, and evaluation of the antimycobacterial activity of3-mercapto-1,2,4-triazole–pyrrole hybrids

2019 ◽  
Vol 43 (2) ◽  
pp. 531-546
Author(s):  
Gheorghe ROMAN ◽  
Andra-Cristina BOSTĂNARU ◽  
Valentin NĂSTASĂ ◽  
Mihai MAREŞ
Keyword(s):  
Antimycobacterial Activity ◽  
Design Synthesis

Benzoylthioureas: Design, Synthesis and Antimycobacterial Evaluation

2020 ◽  
Vol 16 (1) ◽  
pp. 93-103
Author(s):  
Tiago O. Brito ◽  
Lethícia O. Abreu ◽  
Karen M. Gomes ◽  
Maria C.S. Lourenço ◽  
Patricia M.L. Pereira ◽  
...  
Keyword(s):  
Benzene Ring ◽  
Biological Activities ◽  
Antitubercular Activity ◽  
Antimycobacterial Activity ◽  
New Drugs ◽  
Design Synthesis ◽  
Thiourea Derivatives ◽  
Structural Modifications ◽  
General Series ◽  
Wide Range

Background: New drugs and strategies to treat tuberculosis (TB) are urgently needed. In this context, thiourea derivatives have a wide range of biological activities, including anti-TB. This fact can be illustrated with the structure of isoxyl, an old anti-TB drug, which has a thiourea as a pharmacophore group. Objective: The aim of this study is to describe the synthesis and the antimycobacterial activity of fifty-nine benzoylthioureas derivatives. Methods: Benzoylthiourea derivatives have been synthesized and evaluated for their activity against Mycobacterium tuberculosis using the MABA assay. After that, a structure-activity relationship study of this series of compounds has been performed. Results and Discussion: Nineteen compounds exhibited antimycobacterial activity between 423.1 and 9.6 μM. In general, we observed that the presence of bromine, chlorine and t-Bu group at the para-position in benzene ring plays an important role in the antitubercular activity of Series A. These substituents were fixed at this position in benzene ring and other groups such as Cl, Br, NO2 and OMe were introduced in the benzoyl ring, leading to the derivatives of Series B. In general, Series B was less cytotoxic than Series A, which indicates that the presence of a substituent at benzoyl ring contributes to an improvement in both antimycobacterial activity and toxicity profiles. Conclusion: Compound 4c could be considered a good prototype to be submitted to further structural modifications in the search for new anti-TB drugs, since it is 1.8 times more active than the first line anti-TB drug ethambutol and 0.65 times less active than isoxyl.

Design, Synthesis and Anti-mycobacterial Evaluation of Imidazo-[1,2-a]-pyridine Analogues

2022 ◽  
Author(s):  
Yogesh Mahadu Khetmalis ◽  
Surendar Chitti ◽  
Anjani Umarani Wunnava ◽  
Banoth Karankumar ◽  
Muthyala Murali Krishna Kumar ◽  
...  
Keyword(s):  
Molecular Hybridization ◽  
Design Synthesis

Based on the molecular hybridization strategy, thirty-four imidazo-[1,2-a]-pyridine amide (IPA) and imidazo-[1,2-a]-pyridine sulfonamide (IPS) were designed and synthesized. The structures of the target compounds were characterized using 1 HNMR, 13...

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