Biologically Active Benzimidazole Derivatives

Arulmurugan, Subramaniyan; Kavitha, Helen P.; Sathishkumar, S.; Arulmozhi, R.

doi:10.2174/1570193x1202150225153403

Cited by 19 publications

(6 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…All the compounds were docked with EGFR tyrosine kinase receptor. The glide score of the compounds are found to be -10.06(1), -9.44(2), -11.20(3), -9.09 (4), -10.05(5), -9.65(6), -11.56 (7), and -9.46 (8). It is worthy to note that the compound 7 has shown the highest glide score of -11.56kcal/mol.…”

Section: Discussionmentioning

confidence: 99%

“…Heterocyclic compounds have a wide range of physical, chemical, and biological characteristics. Antitumor, antibacterial, antiprotozoal, and antimicrobial properties have been found for benzimidazole, as well as suppression of the angiopoietin receptor TIE-2 and the tyrosine kinase receptor VEGFR-2 (vascular endothelial growth factor receptor-2) [8] [11].…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

In Silico Screening of Potential Inhibitors of the Epidermal Growth Factor Receptor Kinase using Benzimidazole, Benzoxazole, Imidazole, and Tetrazole Derivatives

Arulmurugan

Kavitha

Vennila³

2021

JPRI

Self Cite

View full text Add to dashboard Cite

Background: Small molecule compounds are docked into receptor binding sites and the binding affinity of the complex is calculated using the structure-based drug design technique. Precise and quick docking processes, as well as the capacity to examine binding geometries and interactions, are required for a full knowledge of the structural principles that influence the strength of a protein/ligand complex. The present work deals with in-silico molecular docking studies of some heterocyclic compounds such as benzoxazole, benzimidazole, imidazole and tetrazole against the EGFR tyrosine kinase receptor. Methodology: Molecular docking studies of some heterocyclic compounds such as benzoxazole, benzimidazole, imidazole and tetrazole against the EGFR tyrosine kinase receptor using Schrodinger LLC (Maestro 9.2) software. Results: Our in silico observations reveal that, all the selected heterocyclic compounds (1-8) show good binding interaction and good docking score against selected target enzyme. Out of eight compounds selected for the study two compounds compound 3 and 7 shows higher glide score. Compound 3 binded to ASP855 with a docking score of −11.20 kcal/mol. Compound 7 binded to ASP855 with a docking score of −11.56kcal/mol. Conclusion: Docking results revealed that compounds (1-8) interact with EGFR kinase receptor active site. Among the compounds, compound 7 has shown the highest glide score of -11.56 kcal/mol.

show abstract

Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

In Silico Screening of Potential Inhibitors of the Epidermal Growth Factor Receptor Kinase using Benzimidazole, Benzoxazole, Imidazole, and Tetrazole Derivatives

Arulmurugan

Kavitha

Vennila³

2021

JPRI

Self Cite

View full text Add to dashboard Cite

show abstract

“…Benzimidazoles and its derivatives are an important group of heterocyclic compounds that show a wide range of pharmacological properties such as antitumor, antimicrobial, antihypertensive, antiviral, antiulcer, anticonvulsant, antiinflammatory activities. Their widespread use as scaffolds in medicinal chemistry establishes this moiety as a member of the class of privileged structures (Kaur et al 2014;Arulmurugan et al 2015;Salahuddin et al 2017).…”

Section: Introductionmentioning

confidence: 99%

Synthesis and anticancer properties of 5-(1H-benzoimidazol-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-ylcarboxilic acids

Horishny¹,

Чабан²,

Matiychuk³

2021

PHAR

View full text Add to dashboard Cite

The reaction of 1H-benzoimidazole-2-carbaldehyde with 4-oxo-2-thioxothiazolidin-3-ylcarboxilic acids was studied and the combinatorial library of 5-(1H-benzoimidazol-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-ylcarboxilic acids has been prepared. The structures of target compounds 8a-f, 9 and 10a, b were confirmed by using 1H NMR spectroscopy and elemental analysis. The synthesized compounds were selected by the National Cancer Institute (NCI) Developmental Therapeutic Program for the in vitro cell line screening to investigate their anticancer activity. The tested compounds displayed a weak to medium anticancer activity. The most sensitive cell lines turned out to be SNB-75 of CNS Cancer (GP = 74.84–85.73%) and UO-31, Renal cancer (GP = 71.53–82.16%) and to compound 10a K-562 Leukemia cell lines (GP = 57.14). Graphical abstract

show abstract

“…Imidazoles and benzimidazoles are an important heterocyclic scaffolds in pharmaceuticals and agrochemicals [1][2][3][4][5][6][7][8][9][10]. They also have applications in the fields of dyes, chemo-sensing, and fluorescent materials [3].…”

Section: Introductionmentioning

confidence: 99%

Reactions of 2-carbonyl and 2-hydroxy(or methoxy)alkyl substituted benzimidazoles with arenes in the superacid CF₃SO₃H. NMR and DFT study of dicationic electophilic species

Ryabukhin¹,

Turdakov²,

Soldatova³

et al. 2019

Preprint

View full text Add to dashboard Cite

Interaction of 2-carbonyl and 2-hydroxy(or methoxy)alkyl benzimidazoles with arenes in the Brønsted superacid TfOH resulted in the formation of the corresponding Friedel-Crafts reaction products, 2-diarylmethyl and 2-arylmethyl substituted benzimidazoles in yields up to 90%. The reaction intermediates, N,O-diproptonated species derived from starting benzimidazoles in TfOH, were thorougly studied by means of NMR and DFT calculations. The plausible reaction mechanisms have been discussed.

show abstract

Biologically Active Benzimidazole Derivatives

Cited by 19 publications

References 0 publications

In Silico Screening of Potential Inhibitors of the Epidermal Growth Factor Receptor Kinase using Benzimidazole, Benzoxazole, Imidazole, and Tetrazole Derivatives

In Silico Screening of Potential Inhibitors of the Epidermal Growth Factor Receptor Kinase using Benzimidazole, Benzoxazole, Imidazole, and Tetrazole Derivatives

Synthesis and anticancer properties of 5-(1H-benzoimidazol-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-ylcarboxilic acids

Reactions of 2-carbonyl and 2-hydroxy(or methoxy)alkyl substituted benzimidazoles with arenes in the superacid CF₃SO₃H. NMR and DFT study of dicationic electophilic species

Contact Info

Product

Resources

About

Biologically Active Benzimidazole Derivatives

Cited by 19 publications

References 0 publications

In Silico Screening of Potential Inhibitors of the Epidermal Growth Factor Receptor Kinase using Benzimidazole, Benzoxazole, Imidazole, and Tetrazole Derivatives

In Silico Screening of Potential Inhibitors of the Epidermal Growth Factor Receptor Kinase using Benzimidazole, Benzoxazole, Imidazole, and Tetrazole Derivatives

Synthesis and anticancer properties of 5-(1H-benzoimidazol-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-ylcarboxilic acids

Reactions of 2-carbonyl and 2-hydroxy(or methoxy)alkyl substituted benzimidazoles with arenes in the superacid CF3SO3H. NMR and DFT study of dicationic electophilic species

Contact Info

Product

Resources

About

Reactions of 2-carbonyl and 2-hydroxy(or methoxy)alkyl substituted benzimidazoles with arenes in the superacid CF₃SO₃H. NMR and DFT study of dicationic electophilic species