Molecular hybridization approach for phenothiazine incorporated 1,2,3-triazole hybrids as promising antimicrobial agents: Design, synthesis, molecular docking and in silico ADME studies

2019 ◽  
Vol 168 ◽  
pp. 263-282 ◽  
Author(s):  
Rajkumar Reddyrajula ◽  
Udayakumar Dalimba ◽  
S. Madan Kumar
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Antimicrobial Agents ◽  
Molecular Hybridization ◽  
Design Synthesis

Design, synthesis, molecular docking, in silico ADMET profile and anticancer evaluations of sulfonamide endowed with hydrazone-coupled derivatives as VEGFR-2 inhibitors

2021 ◽  
Vol 108 ◽  
pp. 104669
Author(s):  
Asmaa M Sayed ◽  
Fatma A. Taher ◽  
Mohammad R.K. Abdel-Samad ◽  
Mohamed S.A. El-Gaby ◽  
Khaled El‐Adl ◽  
...  
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Design Synthesis ◽  
In Silico Admet

Design, synthesis, characterization, in vitro screening, molecular docking, 3D-QSAR, and ADME-Tox investigations of novel pyrazole derivatives as antimicrobial agents

2022 ◽  
Author(s):  
Mohammed CHALKHA ◽  
Mohamed Akhazzane ◽  
Fatima Zahrae Moussaid ◽  
Ossama Daoui ◽  
Asmae Nakkabi ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antimicrobial Agents ◽  
3D Qsar ◽  
Spectroscopic Techniques ◽  
In Vitro Screening ◽  
Pyrazole Derivatives ◽  
Design Synthesis ◽  
Practical Procedure

In this work, we report the synthesis of some new pyrazole derivatives via an efficient and practical procedure. The structures of the obtained compounds were established using different spectroscopic techniques...

Hetero-substituted sulfonamido-benzamide hybrids as glucokinase activators: Design, synthesis, molecular docking and in-silico ADME evaluation

2020 ◽  
Vol 1222 ◽  
pp. 128916 ◽  
Author(s):  
Saurabh C. Khadse ◽  
Nikhil D. Amnerkar ◽  
Krushna S. Dighole ◽  
Ashish M. Dhote ◽  
Vikas R. Patil ◽  
...  
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Design Synthesis ◽  
Glucokinase Activators

Design, synthesis and molecular docking of salicylic acid derivatives containing metronidazole as a new class of antimicrobial agents

2015 ◽  
Vol 23 (18) ◽  
pp. 6148-6156 ◽  
Author(s):  
Zhi-Hua Guo ◽  
Yong Yin ◽  
Cong Wang ◽  
Peng-Fei Wang ◽  
Xing-Tao Zhang ◽  
...  
Keyword(s):  
Salicylic Acid ◽  
Molecular Docking ◽  
Antimicrobial Agents ◽  
Design Synthesis ◽  
New Class ◽  
Salicylic Acid Derivatives

scholarly journals Synthesis, Molecular Docking and Evaluation of Library of 3-Mercapto-1,2,4-Triazole Derivatives as Antimicrobial Agents

2021 ◽  
Vol 33 (12) ◽  
pp. 3039-3046
Author(s):  
Swarnagowri Nayak ◽  
Santosh L. Gaonkar ◽  
Sushruta S. Hakkimane ◽  
Swapna B ◽  
Nitinkumar S. Shetty
Keyword(s):  
Antimicrobial Activity ◽  
Molecular Docking ◽  
In Silico ◽  
Structural Modification ◽  
Antimicrobial Agents ◽  
Antifungal Drugs ◽  
Aromatic Acids ◽  
Triazole Derivatives ◽  
In Silico Study ◽  
Antibacterial And Antifungal

Due to the increasing microbial resistance to antibacterial and antifungal drugs, the development of new antimicrobial agents is an urgent priority. In search of newer antimicrobial agents, a series of 4,5-disubstituted-3-mercapto-1,2,4-triazole derivatives were synthesized from aromatic acids and substituted isothiocyanates. The in silico study was performed to study the binding interactions of the synthesized compounds with the active pocket of CYP51. Among the synthesized 3-mercapto-triazole derivatives, compounds 6r, 6s and 6u exhibited promising antimicrobial activity comparable to standard drugs. The results suggested that the structural modification to 3-mercapto-1,2,4-triazole derivatives could lead to promising antimicrobial scaffolds.

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.

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