Recent Advances in Antiviral Benzimidazole Derivatives: A Mini Review

Kanwal, Afshan; Ahmad, Matloob; Aslam, Sana; Naqvi, Syed Ali Raza; Saif, Muhammad Jawwad

doi:10.1007/s11094-019-01976-3

Cited by 58 publications

(32 citation statements)

References 58 publications

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“…Many of synthetic and natural physiologically active compounds are of the guanidine and pyrazine motifs in their structures [ 20 , 21 ]. These bioactive compounds exhibit a variety of pharmaceutical properties such as anticancer agent [22] , HIV protease inhibitor [ 23 , 24 ], anti-malarial [25] , histamine H2 receptor antagonist [26] , anti-hepatitis [27] , antimicrobial [28] , fungicidal [29] , anti-malarial [25] , and anti-inflammatory [28] . Some research proves that phosphorylation of various drugs may be able to increase their biological activity [30] .…”

Section: Introductionmentioning

confidence: 99%

Evaluating anti-coronavirus activity of some phosphoramides and their influencing inhibitory factors using molecular docking, DFT, QSAR, and NCI-RDG studies

Gholivand

Mohammadpanah

Pooyan

et al. 2022

Journal of Molecular Structure

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The recent prevalence of coronavirus disease in 2019 (COVID-19) has triggered widespread global health concerns.Antiviral drugs based on phosphoramides have significant inhibitory activity against the main protease (M pro ) of the virus and prevent transcription and viral replication. Hence, in order to design and introduce a group of inhibitors affecting the coronavirus, 35 phosphoramide compounds based on phospho-guanine and phospho-pyrazine derivatives were selected for molecular docking study. The results showed that most phosphoguanides containing the amino benzimidazole have a high interaction tendency with COVID-19. Among them, compound 19 was identified as the strongest inhibitor with the -9.570 kcal/mol binding energy whereas, the binding energy of Remdesivir is -6.75 kcal/mol. The quantitative structure-activity relationship (QSAR) results demonstrated that the number of aromatic rings, amide's nitrogens and their ability in π-staking, and hydrogen interactions with M pro active sites are major factors contributing to the inhibitory activity of these compounds.Also, the NCI-RDG and DFT results were in good accordance with those of QSAR and molecular docking. The findings of this investigation can be underlying the synthesis of effective and efficient drugs against COVID-19.

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Section: Introductionmentioning

confidence: 99%

Evaluating anti-coronavirus activity of some phosphoramides and their influencing inhibitory factors using molecular docking, DFT, QSAR, and NCI-RDG studies

Gholivand

Mohammadpanah

Pooyan

et al. 2022

Journal of Molecular Structure

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“…As the search for new anti-SARS-CoV-2 drugs continues, the use of heterocyclic organic compounds in anti-viral drug development is essential as they have been reported to be efficacious against other major viral infections [31,54,55]. Heterocyclic derivatives, such as guanine, cyclic amidine, and azetidine exhibit anti-viral activity as they inhibit the regulation of the enzymes and proteins associated with the life cycle of viruses [31,56]. Some of these heterocyclic derivatives have been approved by the US Food and Drug Administration (FDA) for treatment of some diseases.…”

Section: Discussionmentioning

confidence: 99%

Computational Study of the Therapeutic Potential of Novel Heterocyclic Derivatives against SARS-CoV-2

Babalola

Adetobi

Akinsuyi

et al. 2021

COVID

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Severe Acute Respiratory Syndrome Coronavirus- 2 (SARS-CoV-2), including the recently reported severe variant B.1.617.2, has been reported to attack the respiratory tract with symptoms that may ultimately lead to death. While studies have been conducted to evaluate therapeutic interventions against the virus, this study evaluated the inhibitory potential of virtually screened novel derivatives and structurally similar compounds towards SARS-CoV-2 via a computational approach. A molecular docking simulation of the inhibitory potentials of the compounds against the SARS-CoV-2 drug targets—main protease (Mpro), spike protein (Spro), and RNA-dependent RNA polymerase (RdRp)—were evaluated and achieved utilizing AutoDock Vina in PyRx workspace. The absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of these compounds were assessed using SwissADME and ADMETLab servers. All the compounds displayed high binding affinities for the SARS-CoV-2 drug targets. However, the C13 exhibited the highest binding affinity for the drug targets, Spro and RdRp, while C15 exhibited the highest binding affinity for Mpro. The compounds interacted with the LEU A:271, LEU A:287, ASP A:289, and LEU A:272 of Mpro and the HIS A:540, PRO A:415, PHE A:486, and LEU A:370 of the Spro receptor binding motif and some active site amino acids of RdRp. The compounds also possess a favourable ADMET profile and showed no tendency towards hERG inhibition, hepatotoxicity, carcinogenicity, mutagenicity, or drug-liver injury. These novel compounds could offer therapeutic benefits against SARS-CoV-2, and wet laboratory experiments are necessary to further validate the results of this computational study.

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“…With time benzimidazole ring emerged as an important multifaceted heterocyclic system due to its wide range of pharmacological activity such as antibacterial [17], antiparasitic [18], antifungal [19], anti-inflammatory [20], analgesics [21], antiviral [22], antitubercular [23], anticoagulant [24], antihistaminic [25], antioxidant [26], antiulcer [27] and anticancer [28][29][30][31]. Some of the benzimidazole based marketed drugs are listed in with their indication and marketed name in Figure 1.…”

Section: Benzimidazolementioning

confidence: 99%

Advances of Benzimidazole Derivatives as Anticancer Agents: Bench to Bedside

Haider¹,

Yar²

2022

Biochemistry

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Benzimidazole is one of the privileged nitrogen-containing scaffolds known for its versatile diversified role in insecticides, pesticides, dyes, pigments and pharmaceuticals. Due to its electron-rich environment, structural features and binding potency of various therapeutic targets, benzimidazole derivatives exhibit a broad spectrum of biological activity that majorly includes antimicrobial, antifungal, analgesics, anti-diabetic and anticancer agents. Several benzimidazole scaffolds bearing drugs are clinically approved; they are used for various indications. For example, Bilastine, Lerisetron, Maribavir and Nocodazole are the most widely used benzimidazole-based marketed drugs available as an antihistamine, antiviral and antimitotic agent, respectively. Another example is the recently approved anticancer drug Binimetinib and Selumetinib, which are indicated for BRAF mutated melanoma and plexiform neurofibromas. Not only this, many benzimidazole-based anticancer drugs are in late phases of clinical development. Due to the vast therapeutic potential of benzimidazole scaffold in cancer research, medicinal chemists have gained a lot of attraction to explore it more and develop novel, highly effective and target-specific benzimidazole-based potential anticancer drugs.

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Recent Advances in Antiviral Benzimidazole Derivatives: A Mini Review

Cited by 58 publications

References 58 publications

Evaluating anti-coronavirus activity of some phosphoramides and their influencing inhibitory factors using molecular docking, DFT, QSAR, and NCI-RDG studies

Evaluating anti-coronavirus activity of some phosphoramides and their influencing inhibitory factors using molecular docking, DFT, QSAR, and NCI-RDG studies

Computational Study of the Therapeutic Potential of Novel Heterocyclic Derivatives against SARS-CoV-2

Advances of Benzimidazole Derivatives as Anticancer Agents: Bench to Bedside

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