Molecular modelling, synthesis and antimicrobial evaluation of benzimidazole nucleoside mimetics

Chaurasia, Himani; Singh, Vishal; Mishra, Richa; Yadav, Aditya K.; Ram, Nand K.; Singh, Prashant Kumar; Singh, R. K. P.

doi:10.1016/j.bioorg.2021.105227

Cited by 23 publications

(9 citation statements)

References 53 publications

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“…At the present time, there are very many studies of the substituted benzimidazole derivatives, which showed a distinctive activity to kill microbes or stop their growth, and that many of the prepared derivatives were efficacy comparable or superior to the standard drugs used for the same purpose [138]- [147] . [148]- [153] 4.7.…”

Section: Manuscriptmentioning

confidence: 99%

A Review on Benzimidazole Heterocyclic Compounds: Synthesis and Their Medicinal Activity Applications

Alheety,

Mohammed,

Farhan

et al. 2023

SynOpen

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Benzimidazole is a heterocyclic compound formed by fusing the benzene ring with an imidazole ring that contains two nitrogen atoms. Benzimidazole and its derivatives are prepared in different ways, including condensation of o-phenylenediamine with carbonyl compounds (aldehydes and ketones) or with carboxylic acids and their derivatives. The benzimidazoles can also be prepared by rearranging other heterocyclic compounds such as quinoxaline derivatives, triazole derivatives, etc. In recent decades, benzimidazoles were prepared using green methods such as microwaves, ultrasound, and the use of an environmentally friendly catalyst, as well as photochemical reactions. Benzimidazoles have attracted the interest of scientists and researchers due to the great medical efficacy shown by them for various diseases. The benzimidazole derivatives show many pharmacological activities such as anticancer, anti-inflammatory, antioxidant, anticoagulant, antiviral, etc. This review focuses on shedding light on benzimidazole and its derivatives, the most important methods used to prepare it, as well as the biological applications in our daily lives.

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Section: Manuscriptmentioning

confidence: 99%

A Review on Benzimidazole Heterocyclic Compounds: Synthesis and Their Medicinal Activity Applications

Alheety,

Mohammed,

Farhan

et al. 2023

SynOpen

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“…Benzimidazole derivatives have become increasingly important in the past few years due to their diverse range of biological activities. These derivatives have been found to possess many beneficial properties, including anticancer, 19 anti-inflammatory, [20][21][22][23] analgesic, 24 antimicrobial, 25,26 antihelminthic, 27 antiprotozoal, 28 antiviral, 29,30 antifungal, 31 antioxidant, 32,33 antidiabetic, 34 antihistaminic, 35 antitubercular, 36 acetylcholinesterase inhibitor (anti-Alzheimer), 37,38 anti-HIV (Human Immunodefficiency Virus), 39 and anti-hypertensive properties. 40 They have shown promising results in the treatment of various diseases.…”

Section: Introductionmentioning

confidence: 99%

Design, synthesis, molecular docking and molecular dynamic studies of novel benzimidazole–thiazole derivatives as potent and selective COX-2 inhibitors

Irmak,

Saglık,

Celik

et al. 2023

New J. Chem.

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“…[10] Since the initial efforts to figure out the biological activity of the benzimidazoles (by Woolley's investigations in 1944), [11] further explorations have been focused on the utility of benzimidazole-containing products as antifungal, anticancer, antibacterial, antidiabetic, antiproliferative, anthelmintic, antiviral, antitumor and antiox-idant agents. [12][13][14][15][16][17][18][19][20] In this trend, versatile benzimidazole derivatives have attracted growing interest in recent decades and thus, some momentous benzimidazole-bearing drugs such as carbendazim, omeprazole, bendamustine, albendazole, and mebendazole, have markedly affected the development of modern strategies to combat various diseases. [21][22][23][24][25] Furthermore, the pharmacological capability of benzimidazole derivatives to serve as inhibitor agents of multitudinous enzymes sheds new light on our knowledge about treating numerous incurable diseases, and peculiarly different classes of cancers.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Cytotoxic Activity, Docking and MD Simulation ofN,N‐Disubstituted New Benzimidazolium Salts

Mavvaji,

Muhammed,

Akkoc

2023

ChemistrySelect

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Novel N,N‐disubstituted benzimidazolium salts were efficaciously synthesized in moderate to high yields and identified via 1H NMR and 13C NMR analyses. These compounds were tested on human liver cancer, prostate cancer, and normal embryonic kidney cell lines for 72 h. The results demonstrated that these compounds had antiproliferative activity. In particular, it was found that one of the compounds, 1‐(3‐chlorobenzyl)‐3‐(3‐methylbenzyl)‐1H‐benzo[d]imidazol‐3‐ium chloride, showed very high activity against liver cancer cell line and the IC50 value of this compound was almost twice as low as the IC50 value of cisplatin. The anticancer activity potential of the compounds was explored through computational methods to support the experimental study results. The binding potential of the compounds to human sulfotransferase 1A1 (SULT1A1) was investigated through molecular docking and molecular dynamics simulation. Their electrochemical properties were computed via density functional theory. The molecular docking study exhibited that 1‐(3‐methylbenzyl)‐3‐(4‐nitrobenzyl)‐1H‐benzo[d]imidazol‐3‐ium chloride had the highest potential to bind to SULT1A1. The molecular dynamics study showed that the synthesized compounds formed a stable complex. Furthermore, the density functional theory study exhibited that 1‐(3‐chlorobenzyl)‐3‐(4‐fluorobenzyl)‐1H‐benzo[d]imidazol‐3‐ium chloride might have the highest chemical stability.

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Molecular modelling, synthesis and antimicrobial evaluation of benzimidazole nucleoside mimetics

Cited by 23 publications

References 53 publications

A Review on Benzimidazole Heterocyclic Compounds: Synthesis and Their Medicinal Activity Applications

A Review on Benzimidazole Heterocyclic Compounds: Synthesis and Their Medicinal Activity Applications

Design, synthesis, molecular docking and molecular dynamic studies of novel benzimidazole–thiazole derivatives as potent and selective COX-2 inhibitors

Synthesis, Cytotoxic Activity, Docking and MD Simulation ofN,N‐Disubstituted New Benzimidazolium Salts

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