Novel pyrazine based anti-tubercular agents: Design, synthesis, biological evaluation and in silico studies

2020 ◽  
Vol 96 ◽  
pp. 103610 ◽  
Author(s):  
Nayera W. Hassan ◽  
Manal N. Saudi ◽  
Yasser S. Abdel-Ghany ◽  
Azza Ismail ◽  
Perihan A. Elzahhar ◽  
...  
Keyword(s):  
In Silico ◽  
Biological Evaluation ◽  
Design Synthesis ◽  
In Silico Studies

scholarly journals Novel oxindole/benzofuran hybrids as potential dual CDK2/GSK-3β inhibitors targeting breast cancer: design, synthesis, biological evaluation, and in silico studies

2020 ◽  
Vol 36 (1) ◽  
pp. 270-285
Author(s):  
Wagdy M. Eldehna ◽  
Sara T. Al-Rashood ◽  
Tarfah Al-Warhi ◽  
Razan O. Eskandrani ◽  
Amal Alharbi ◽  
...  
Keyword(s):  
Breast Cancer ◽  
In Silico ◽  
Biological Evaluation ◽  
Design Synthesis ◽  
In Silico Studies ◽  
Gsk 3Β

Design, synthesis, biological evaluation and in silico studies of certain aryl sulfonyl hydrazones conjugated with 1,3-diaryl pyrazoles as potent metallo-β-lactamase inhibitors

2020 ◽  
Vol 105 ◽  
pp. 104386
Author(s):  
Marwa M. Shaaban ◽  
Hanan M. Ragab ◽  
Kenichi Akaji ◽  
Ross P. McGeary ◽  
Alaa-Eldin A. Bekhit ◽  
...  
Keyword(s):  
In Silico ◽  
Biological Evaluation ◽  
Design Synthesis ◽  
In Silico Studies

Discovery of Natural Product Inspired 3-Phenyl-1H-isochromen-1-ones as Highly Potent Antioxidant and Antiplatelet Agents: Design, Synthesis, Biological Evaluation, SAR and in silico Studies

2021 ◽  
Vol 27 ◽  
Author(s):  
Bharti Rajesh Kumar Shyamlal ◽  
Manas Mathur ◽  
Dharmendra K. Yadav ◽  
Irina V. Mashevskaya ◽  
Mohamed El-Shazly ◽  
...  
Keyword(s):  
Platelet Aggregation ◽  
In Silico ◽  
Antioxidant Activities ◽  
In Silico Analysis ◽  
Antiplatelet Agents ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Design Synthesis ◽  
In Silico Studies

Background: Several natural/synthetic molecules having structure similar to 1H-isochromen-1-ones have been reported to display promising antioxidants and platelet aggregation inhibitory activity. Isocoumarin (1H-2-benzopyran-1-one) skeleton, either whole or as a part of molecular framework, have been explored for their antioxidant or antiplatelet activities. Introduction: Based on literature, a new prototype i.e., 3-phenyl-1H-isochromen-1-ones based compounds have been rationalized to possess both antioxidant as well as antiplatelet activities. Consequently, no reports are available regarding its inhibition either by cyclooxygenase-1 (COX-1) enzyme or by arachidonic acid (AA)-induced platelet aggregation. This prompted us to investigate 3-phenyl-1H-isochromen-1-ones towards antioxidant and antiplatelet agents. Methods: The goal of this work to identify new 3-phenyl-1H-isochromen-1-ones based compounds via synthesis of a series of analogues and performing in vitro antioxidant as well as AA-induced antiplatelet activities and then, identification of potent compounds by SAR and molecular docking studies. Results: Out of all synthesized 3-phenyl-1H-isochromen-1-ones analogues, five compounds showed 7-folds to 16-folds highly potent antioxidant activities than ascorbic acid. Altogether, ten 3-phenyl-1H-isochromen-1-one analogues displayed antioxidant activities in 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay. Almost, all the 3-phenyl-1H-isochromen-1-one analogues exhibited potent AA-induced antiplatelet activity; few of them displayed 7-folds more activity as compared to aspirin. Further, in silico analysis validated the wet results. Conclusion: We disclose the first detailed study for the identification of 3-phenyl-1H-isochromen-1-one analogues as highly potent antioxidant as well as antiplatelet agents. The article describes the scaffold designing, synthesis, bioevaluation, structure-activity relationship and in silico studies of pharmaceutically privileged bioactive 3-phenyl-1H-isochromen-1-one class of heterocycles.

Anti-leishmanial click modifiable thiosemicarbazones: Design, synthesis, biological evaluation and in silico studies

2018 ◽  
Vol 151 ◽  
pp. 585-600 ◽  
Author(s):  
Mohamed G. Temraz ◽  
Perihan A. Elzahhar ◽  
Alaa El-Din A. Bekhit ◽  
Adnan A. Bekhit ◽  
Hala F. Labib ◽  
...  
Keyword(s):  
In Silico ◽  
Biological Evaluation ◽  
Design Synthesis ◽  
In Silico Studies

Design, synthesis, biological evaluation and in silico studies of novel pyrrolo[3,4-d]pyridazinone derivatives with promising anti-inflammatory and antioxidant activity

2020 ◽  
Vol 102 ◽  
pp. 104035 ◽  
Author(s):  
Łukasz Szczukowski ◽  
Aleksandra Redzicka ◽  
Benita Wiatrak ◽  
Edward Krzyżak ◽  
Aleksandra Marciniak ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
In Silico ◽  
Biological Evaluation ◽  
Design Synthesis ◽  
In Silico Studies ◽  
Anti Inflammatory ◽  
Pyridazinone Derivatives

Design, Synthesis, In Vitro and In Silico Studies of Some Novel Thiazole-Dihyrofuran Derivatives as Aromatase Inhibitors

2021 ◽  
pp. 105123
Author(s):  
Derya Osmaniye ◽  
Şennur Görgülü ◽  
Begum Nurpelin Saglik ◽  
Serkan Levent ◽  
Yusuf Ozkay ◽  
...  
Keyword(s):  
Aromatase Inhibitors ◽  
In Silico ◽  
Design Synthesis ◽  
In Silico Studies

scholarly journals Design, synthesis, in silico studies and in vitro evaluation of isatin-pyridine oximes hybrids as novel acetylcholinesterase reactivators

2021 ◽  
Vol 36 (1) ◽  
pp. 1370-1377
Author(s):  
Daniel A. S. Kitagawa ◽  
Rafael B. Rodrigues ◽  
Thiago N. Silva ◽  
Wellington V. dos Santos ◽  
Vinicius C. V. da Rocha ◽  
...  
Keyword(s):  
In Silico ◽  
Design Synthesis ◽  
In Vitro Evaluation ◽  
In Silico Studies ◽  
Acetylcholinesterase Reactivators

Design, Synthesis, In Vitro and In Silico Studies of Some Novel Triazoles as Anticancer Agents for Breast Cancer

2021 ◽  
pp. 131198
Author(s):  
Derya Osmaniye ◽  
Begum Nurpelin Saglik ◽  
Serkan Levent ◽  
Sinem Ilgın ◽  
Yusuf Ozkay ◽  
...  
Keyword(s):  
Breast Cancer ◽  
Anticancer Agents ◽  
In Silico ◽  
Design Synthesis ◽  
In Silico Studies

Design, synthesis, anticancer activity, and in silico studies of novel imidazo[1,2‐ a ]pyridine based 1 H ‐1,2,3‐triazole derivatives

2021 ◽  
Author(s):  
Srinivas Endoori ◽  
Kali Charan Gulipalli ◽  
Srinu Bodige ◽  
Parameshwar Ravula ◽  
Nareshvarma Seelam
Keyword(s):  
Anticancer Activity ◽  
In Silico ◽  
Design Synthesis ◽  
Triazole Derivatives ◽  
In Silico Studies
Sign in / Sign up

Export Citation Format

Share Document