Synthesis, antiviral, DFT and molecular docking studies of some novel 1,2,4-triazine nucleosides as potential bioactive compounds

2021 ◽  
Vol 500 ◽  
pp. 108246
Author(s):  
Ahmed I. Khodair ◽  
Ahmed A. El-Barbary ◽  
Dalia R. Imam ◽  
Nabila A. Kheder ◽  
Faisal Elmalki ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Bioactive Compounds ◽  
Docking Studies ◽  
Molecular Docking Studies

scholarly journals Isolation, pharmacological evaluation and molecular docking studies of bioactive compounds from Grewia optiva

2019 ◽  
Vol Volume 13 ◽  
pp. 3029-3036 ◽  
Author(s):  
Wasim Ul Bari ◽  
Mohammad Zahoor ◽  
Alam Zeb ◽  
Muhammad Umar Khayam Sahibzada ◽  
Riaz Ullah ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Bioactive Compounds ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Pharmacological Evaluation ◽  
Grewia Optiva

scholarly journals Synthesis, Molecular Docking, and Evaluation of Triazole and Chalcone Conjugate As Antitubercular Agent

2021 ◽  
Author(s):  
Harpreet Kaur ◽  
Rakesh Singh ◽  
Rishi kant
Keyword(s):  
Molecular Docking ◽  
Synergistic Effect ◽  
Click Chemistry ◽  
Bioactive Compounds ◽  
Antitubercular Activity ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Good Congruence

Abstract The aim of this work was to be combine two pharmocophoric nuclei viz, triazole and chalcone and evaluate their antitubercular activity. Propargylated vanillin was condensed with differently substituted acetophenones to produce various chalcones (3a-c). Propargyl chalcones were then made to react with benzyl azides (2a-d) using the technique of Click chemistry and this reaction yielded triazole-chalcone hybrids (4a-l) in good yields, ranged from 34 to 93%. These hybrids were evaluated for their antitubercular activity, from the results it was found that triazole and chalcone on combination exhibited enhanced bioactivity thereby supported the theory of synergistic effect. The conjugate 4a and 4f were found to be most potent with MIC of 1.6 µg/ml. Molecular docking studies of bioactive compounds were in good congruence with in-vitro studies.

Molecular docking studies of bioactive compounds from Annona muricata Linn as potential inhibitors for Bcl-2, Bcl-w and Mcl-1 antiapoptotic proteins

APOPTOSIS ◽  
2017 ◽  
Vol 23 (1) ◽  
pp. 27-40 ◽  
Author(s):  
Mohamad Norisham Mohamad Rosdi ◽  
Shahkila Mohd Arif ◽  
Mohamad Hafizi Abu Bakar ◽  
Siti Aisyah Razali ◽  
Razauden Mohamed Zulkifli ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Bioactive Compounds ◽  
Docking Studies ◽  
Annona Muricata ◽  
Molecular Docking Studies ◽  
Antiapoptotic Proteins ◽  
Potential Inhibitors
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