Synthesis, Characterization and Molecular Docking of New Nucleosides and Schiff Bases Derived from Ampyrone as Antiviral Agents to Contain the COVID-19 Virus

Alotaibi, Saad H.; Amer, Hamada H.; Touil, Nadia; Abdel‐Moneim, Ahmed S.; Soliman, Mohamed Mohamed; Zaki, Yasser H.

doi:10.1080/10406638.2022.2045329

Cited by 8 publications

(5 citation statements)

References 36 publications

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“… 10 The SARS-CoV-2 is an enveloped, crown-shaped, single-stranded positive RNA virus that belongs to the genus β-coronavirus , subgenus Sarbecovirus , and family Coronaviridae. 11 The SARS-CoV-2 is the seventh type of human coronavirus (HCoVs) after SARS-CoV, HCoV-229E, HCoV-HKU1, HCoV-NL63, HCoV-OC43, and middle east respiratory syndrome (MERS-CoV). 12 The SARS-CoV-2, MERS-CoV, and SARS-CoV viruses cause severe acute respiratory infections, whereas the HCoV-HKU1, HCoV-229E, HCoV-OC43, and HCoV-NL63 viruses affect with milder symptoms.…”

Section: Introductionmentioning

confidence: 99%

“…Alotaibi et al,11 synthesized a series of novel pyrazole derivatives and examined their inhibitory potential against SARS-CoV-2 main protease (M pro ) (PDB ID: 6LU7) through molecular docking analysis. From the examined derivatives, compound 58 demonstrated an excellent binding affinity for the main protease (M pro ) of SARS-CoV-2 with a binding energy value of −8.7kcal/mol.…”

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confidence: 99%

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A Comprehensive Update of Anti-COVID-19 Activity of Heterocyclic Compounds

Nazir,

Ahmad,

Aslam

et al. 2024

DDDT

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The Coronavirus disease 2019 (COVID-19) pandemic is one of the most considerable health problems across the world. Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the major causative agent of COVID-19. The severe symptoms of this deadly disease include shortness of breath, fever, cough, loss of smell, and a broad spectrum of other health issues such as diarrhea, pneumonia, bronchitis, septic shock, and multiple organ failure. Currently, there are no medications available for coronavirus patients, except symptom-relieving drugs. Therefore, SARS-CoV-2 requires the development of effective drugs and specific treatments. Heterocycles are important constituents of more than 85% of the physiologically active pharmaceutical drugs on the market now. Several FDA-approved drugs have been reported including molnupiravir, remdesivir, ritonavir, oseltamivir, favipiravir, chloroquine, and hydroxychloroquine for the cure of COVID-19. In this study, we discuss potent anti-SARS-CoV-2 heterocyclic compounds that have been synthesized over the past few years. These compounds included; indole, piperidine, pyrazine, pyrimidine, pyrrole, piperazine, quinazoline, oxazole, quinoline, isoxazole, thiazole, quinoxaline, pyrazole, azafluorene, imidazole, thiadiazole, triazole, coumarin, chromene, and benzodioxole. Both in vitro and in silico studies were performed to determine the potential of these heterocyclic compounds in the fight against various SARS-CoV-2 proteins.

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Section: Introductionmentioning

confidence: 99%

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confidence: 99%

A Comprehensive Update of Anti-COVID-19 Activity of Heterocyclic Compounds

Nazir,

Ahmad,

Aslam

et al. 2024

DDDT

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“…Moreover, they have been reported as CNS depressants, antiproliferative, anti-HIV, antitubercular, analgesic, antioxidant, and anti-inflammatory (Matin et al, 2022). Several other drugs have been reported consisting of 1, 2, 4 Triazole nucleus; these include anti-psychotic, anti-migraine, sedative and hypnotic, anti-depressant, antiviral, analgesic, and aromatase inhibitors (Aggarwal and Sumran, 2020).Schiff bases are documented with an inclusive range of chemotherapeutic doings; azomethine on Schiff bases attributes to their extended chemical and biological properties Moreover, the ability to form intermolecular hydrogen bonds and transferable protons play their part in extended bioactivity (Said et al, 2021).Schiff bases are derived from aliphatic and aromatic aldehydes, but later are more stable due to conjugation, and the former are liable to polymerization (Hasan et al, 2015).Heterocyclic Schiff bases have been reported as: antibacterial, anti-proliferative (Al-Hiyari et al, 2021), antioxidant (Kizilkaya et al, 2020) antifungal (Shafiei et al, 2021) antiviral (Alotaibi et al, 2022), anti-inflammatory (Hamid and Salih, 2022) and anti-tumoral (Iacopetta et al, 2021).…”

Section: Introductionmentioning

confidence: 99%

Design, synthesis and screening of indole acetic acid-based tri-azo moieties as antioxidants, anti-microbial and cytotoxic agents

Javaid

Haq²,

Nadeem³

et al. 2023

Front. Pharmacol.

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Multidrug resistance and infectious disease have enormous spread despite drug discovery and development advancements. 1, 2, 4 -triazoles have been extensively studied, playing an imperative role in many pathologic conditions. A series of Schiff base triazoles; derived from Indole -3- acetic acid with substituted Benzaldehydes (5a-5g) were designed, synthesized, and evaluated through various Spectroanalytical techniques. SwissADME was used to assess physicochemical properties and pharmacokinetic drug-likeliness behavior. (5a-5g) were evaluated for their varied biological potential through antioxidant, antimicrobial, enzyme inhibition, and cytotoxic evaluation. Schiff bases express drug-like nature as they follow Lipinski’s rule of five. 5b showed good antioxidant potential in total antioxidant capacity (TAC) and total reducing power (TRP) assays and was most active in the library in % free radical scavenging assay (%FRSA), showing 32% inhibition at 50 μg/mL concentration. Compounds showed antibacterial activity against various tested strains. 5e and 5f showed a minimum inhibitory concentration (MIC) value of 3.12 μg/mL for P.aeruginosa and K.pneumoniae, respectively. In the antifungal assay, only 5e inhibited one strain with a zone of inhibition >6 mm. These synthetic molecules possess good cytotoxic potential in the Brine Shrimp Lethality screening; 5c, 5d, and 5f exhibited LC50 =5.7 μg/mL. In the protein kinase inhibition assay, 5a, 5b, and 5g demonstrated inhibitory potential, showcasing the zone of inhibition as 7.5–10.5 mm for the bald one and 6–7.5 for the clear zone. These findings suggest that the compounds have antibacterial and cytotoxic potential, and there is a chance for further research and development in this area.

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“…For many compounds synthesized by chemists, molecular docking can be used to obtain their predicted binding poses with the target protein quickly and cheaply, which facilitates the analysis of their interaction. There have been many reports on the molecular docking of 3CLpro of SARS-CoV-2 with small molecule inhibitors [28] , [29] , [30] , [31] . However, although molecular docking is a quick and convenient means to study receptor-ligand interaction, the correlations between the ligand activity and the scores of scoring functions from different docking software are not ideal at present [32] , [33] , [34] , which seriously affects the efficiency of lead compound optimization.…”

Section: Introductionmentioning

confidence: 99%