Design, synthesis, in silico docking studies and biological evaluation of novel quinoxaline-hydrazide hydrazone-1,2,3-triazole hybrids as α-glucosidase inhibitors and antioxidants

2019 ◽  
Vol 43 (38) ◽  
pp. 15435-15452 ◽  
Author(s):  
Triloknadh Settypalli ◽  
Venkata Rao Chunduri ◽  
Aruna Kumari Maddineni ◽  
Nagaraju Begari ◽  
Rajasekhar Allagadda ◽  
...  
Keyword(s):  
In Silico ◽  
Antioxidant Activities ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Design Synthesis ◽  
In Silico Docking ◽  
Glucosidase Inhibitors

Novel quinoxaline-hydrazidehydrazone-1,2,3-triazole hybrids were synthesized, characterized and screened for α-glucosidase inhibitory and antioxidant activities.

Design, Synthesis, Biological Evaluation and In-silico Docking Studies of Some Novel Imidazolone Derivatives As Potent Antimicrobial Containing Fluorine Agents

2021 ◽  
Vol 11 (4) ◽  
pp. 469-496
Author(s):  
Nisheeth C. Desai ◽  
Kashyap R. Wadekar ◽  
Unnat P. Pandit ◽  
Harsh K. Mehta ◽  
Dharmpalsinh J. Jadeja ◽  
...  
Keyword(s):  
In Silico ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Design Synthesis ◽  
In Silico Docking

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.

Oxamide Derivatives as Potent α ‐Glucosidase Inhibitors: Design, Synthesis, In Vitro Inhibitory Screening and In Silico Docking Studies

2021 ◽  
Vol 6 (28) ◽  
pp. 7188-7201
Author(s):  
Naseema Perveen Malik ◽  
Maira Naz ◽  
Uzma Ashiq ◽  
Rifat A. Jamal ◽  
Sana Gul ◽  
...  
Keyword(s):  
In Silico ◽  
Docking Studies ◽  
Design Synthesis ◽  
In Silico Docking ◽  
Glucosidase Inhibitors

Design, synthesis, antitubercular and antibacterial activities of pyrrolo[3,2-b]pyridine-3-carboxamide linked 2-methoxypyridine derivatives and in silico docking studies

2019 ◽  
Vol 49 (17) ◽  
pp. 2219-2234
Author(s):  
Srinu Bodige ◽  
Parameshwar Ravula ◽  
Kali Charan Gulipalli ◽  
Srinivas Endoori ◽  
Purna Koteswara Rao Cherukumalli ◽  
...  
Keyword(s):  
In Silico ◽  
Antibacterial Activities ◽  
Docking Studies ◽  
Design Synthesis ◽  
In Silico Docking

Palladium(II) complexes of 5-substituted isatin thiosemicarbazones: Synthesis, spectroscopic characterization, biological evaluation and in silico docking studies

2019 ◽  
Vol 49 (1) ◽  
pp. 146-158 ◽  
Author(s):  
Gandham Munikumari ◽  
Ramaiah Konakanchi ◽  
Venkata Bharat Nishtala ◽  
Gondru Ramesh ◽  
Laxma Reddy Kotha ◽  
...  
Keyword(s):  
In Silico ◽  
Spectroscopic Characterization ◽  
Docking Studies ◽  
Biological Evaluation ◽  
In Silico Docking

Design, Synthesis, Antitubercular and Antibacterial Activities of 1,3,5-Triazinyl Carboxamide Derivatives and In Silico Docking Studies

2020 ◽  
Vol 90 (7) ◽  
pp. 1322-1330
Author(s):  
S. Bodige ◽  
P. Ravula ◽  
K. Ch. Gulipalli ◽  
S. Endoori ◽  
P. Koteswara Rao Cherukumalli ◽  
...  
Keyword(s):  
In Silico ◽  
Antibacterial Activities ◽  
Docking Studies ◽  
Design Synthesis ◽  
In Silico Docking
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