Microwave assisted synthesis and in silico screening of steroidal pyrazolines

2012 ◽  
Vol 23 (9) ◽  
pp. 1039-1042 ◽  
Author(s):  
Mahboob Alam ◽  
Shahab A.A. Nami ◽  
M. Parveen ◽  
Dong-Ung Lee ◽  
Soonheum Park
Keyword(s):  
In Silico ◽  
Microwave Assisted Synthesis ◽  
In Silico Screening ◽  
Microwave Assisted

Microwave assisted synthesis of chalcone and its polycyclic heterocyclic analogues as promising antibacterial agents: In vitro, in silico and DFT studies

2019 ◽  
Vol 1190 ◽  
pp. 77-85 ◽  
Author(s):  
Salman A. Khan ◽  
Abdullah M. Asiri ◽  
Najat Saeed M. Al-Ghamdi ◽  
Mohammad Asad ◽  
Mohie E.M. Zayed ◽  
...  
Keyword(s):  
In Silico ◽  
Antibacterial Agents ◽  
Microwave Assisted Synthesis ◽  
Dft Studies ◽  
Microwave Assisted

Microwave assisted synthesis, biological activities, and in silico investigation of some benzimidazole derivatives

2020 ◽  
Vol 57 (12) ◽  
pp. 4215-4238
Author(s):  
Zeel A. Bhavsar ◽  
Prachi T. Acharya ◽  
Divya J. Jethava ◽  
Dhaval B. Patel ◽  
Mahesh S. Vasava ◽  
...  
Keyword(s):  
In Silico ◽  
Biological Activities ◽  
Benzimidazole Derivatives ◽  
Microwave Assisted Synthesis ◽  
Microwave Assisted

scholarly journals 3,5-Disubstituted Thiazolidine-2,4-Diones: Design, Microwave-Assisted Synthesis, Antifungal Activity, and ADMET Screening

2018 ◽  
Vol 23 (8) ◽  
pp. 807-814 ◽  
Author(s):  
Gabriel Marc ◽  
Anca Stana ◽  
Adrian Pîrnău ◽  
Laurian Vlase ◽  
Dan C. Vodnar ◽  
...  
Keyword(s):  
Antifungal Activity ◽  
Inhibitory Concentration ◽  
Docking Study ◽  
Docking Studies ◽  
Microwave Assisted Synthesis ◽  
Molecular Fragments ◽  
In Silico Screening ◽  
Minimum Fungicidal Concentration ◽  
Microwave Assisted

A series of 12 new thiazolidine-2,4-dione derivatives were obtained by microwave-assisted synthesis. All compounds were physicochemically characterized by quantitative elemental C, H, N, S analysis and spectral data (mass spectrometry [MS], infrared [IR], and nuclear magnetic resonance [NMR]), with the results being in agreement with the expected data. An in vitro screening performed on Candida albicans ATCC 10231 showed their moderate antifungal activity, which was further investigated by determining the minimum inhibitory concentration and minimum fungicidal concentration values for the most active compounds on four strains of Candida. The molecular docking studies, performed against a fungal lanosterol 14α-demethylase, emphasized the importance of different molecular fragments in the compounds’ structures for their antifungal activity. The synthesized compounds were subjected to in silico screening for the prediction of their absorption, distribution, metabolism, excretion, and toxicity (ADMET) and molecular properties. The results of the antifungal activity assays, docking study, and ADMET predictions revealed that the synthesized compounds are potential anti- Candida agents that might act by interacting with the fungal lanosterol 14α-demethylase and could be further optimized and developed as antifungal agents.

scholarly journals Microwave-assisted synthesis of 1,2,3,4-tetrahydroisoquinoline sulfonamide derivatives and their biological evaluation

2020 ◽  
pp. 76-76
Author(s):  
Stanimir Manolov ◽  
Iliyan Ivanov ◽  
Dimitar Bojilov
Keyword(s):  
Antibacterial Activity ◽  
Thin Layer ◽  
In Silico ◽  
Biological Evaluation ◽  
Reversed Phase ◽  
Microwave Assisted Synthesis ◽  
Microwave Assisted ◽  
In Vitro Inhibition ◽  
Layer Chromatography

Herein we report an alternative eco-friendly method for the synthesis of 1,2,3,4-tetrahydroisoquinoline sulfonamide derivatives. All obtained compounds were screened for their in vitro inhibition of albumin denaturation, antioxidant, antitryptic, and antibacterial activity and have shown significant results. The lipophilicity was established using both reversed-phase thin layer chromatography and in silico calculations.

scholarly journals MICROWAVE ASSISTED SYNTHESIS OF TETRAHYDROPYRMIDINE AND IN SILICO SCREENING OF ANTIDIABETIC DRUG

2020 ◽  
pp. 10-13
Author(s):  
GEJALAKSHMI S. ◽  
HARIKRISHNAN N. ◽  
THILLAI GOVINDARAJAN G. E. ◽  
DIVYASRI A.
Keyword(s):  
Molecular Docking ◽  
Insulin Receptor ◽  
Research Work ◽  
Docking Studies ◽  
Microwave Assisted Synthesis ◽  
Diabetic Mellitus ◽  
Antidiabetic Drug ◽  
In Silico Screening ◽  
Microwave Assisted ◽  
Made In

Objective: To detect the microwave-assisted synthesis of Tetrahydropyrimidine derivative and its molecular docking studies for Diabetes. Methods: The Bignelli condensation method was used for Tetrahydropyrimidine derivative synthesis. The docking studies made in Argus Lab software. Results: The Tetrahydropyrimidine is synthesized using the microwave. The Tetrahydropyrimidine derivative is found to be attack the insulin receptor, as it the tendency of binding with insulin receptor showed in Argus lab. Further, the good binding site of Tetrahydropyrimidine derivative with insulin receptor was predicted. Conclusion: From the research work, The Tetrahydropyrimidine derivative shows its affinity to bind with the insulin receptor. The binding value is averagely 7 which indicates it can attraction with the receptor, so it can control Diabetic mellitus by altering insulin secretion in blood plasma.

Sign in / Sign up

Export Citation Format

Share Document