Synthesis, molecular modeling and antioxidant activity of new thiadiazolyl-triazole analogues

Abu‐Melha, Sraa; Azher, Omer A.; Alaysuy, Omaymah; Alnoman, Rua B.; Abualnaja, Matokah; Althagafi, Ismail; El‐Metwaly, Nashwa M.

doi:10.1016/j.jscs.2022.101596

Cited by 6 publications

(2 citation statements)

References 54 publications

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“…The side groups are essential constituents for living cells and depend on aromatic heterocycles 1 . Oxazepine and oxazepane are hetero seven-membered rings consisting of oxygen and nitrogen atoms 1,2 . In 1864, Hago Schiff was the first to report Schiff bases (SBs), which are commonly synthesized by the condensation of a primary amine with a carbonyl compound 3,4 .…”

Section: Introductionmentioning

confidence: 99%

Molecular Docking, Synthesis and Evaluation for Antioxidant and Antibacterial Activity of New Oxazepane and Benzoxazepine Derivatives

Sager,

Abaies,

Katoof

2024

Baghdad Sci.J

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In the field of molecular simulations, molecular docking is a method that can determine the optimal and preferred orientation of a certain molecule related to another when they are coupled to create a stable complex. The strength of the association, or binding affinity, between two molecules can be predicted using knowledge of their preferred orientation. In this study, a series of prepared compounds were evaluated for their binding modes, potential interactions, and target binding locations. Some derivatives 1,3-oxazepane, and 1,3-benzoxazepine were prepared from three Schiff bases compounds (1S-3S). The compounds (1S-3S) were reacted with succinic anhydride and phthalic anhydride to obtain derivatives of 1,3- oxazepane and 1,3-benzoxazepine (1B-3C). The characterization of prepared compounds was achieved by methods of elemental analysis, FT-IR, 1H, and 13C-NMR spectral analysis. The antibacterial activity of the compounds (1B-3C) was recorded against some isolated bacteria including gram-negative (Staphylococcus aureus), and gram-positive (E.coli) in parallel with Amoxicillin as a regular drug. Compounds (1B-3C) exhibited good values as antibacterial spreading from middling to perfect against the bacteria strains. Moreover, the antioxidant activity of the synthesized compounds (1B-3C) was evaluated using 2,2-diphenyl-1-picrylhydrazyl. The results showed that compounds have the highest values as radical scavenging.

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Section: Introductionmentioning

confidence: 99%

Molecular Docking, Synthesis and Evaluation for Antioxidant and Antibacterial Activity of New Oxazepane and Benzoxazepine Derivatives

Sager,

Abaies,

Katoof

2024

Baghdad Sci.J

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“…Additionally, triazole compounds possess a diversity of biological activities as antimicrobial [35][36][37][38], antitubercular [39,40], potential inhibitors of SARS-CoV-2 [41][42][43], antiviral [43,44], anti-inflammatory [45,46],antitumor [47][48][49][50], antihypertensive [50], antioxidant [47,51,52], and antiepileptic [53,54]. Pharmacological applications of triazoles refer to their activity as α-glucosidase inhibitors [55,56], analgesics [50,57], anticonvulsants [53,58], and antimalarial agents [57,59].…”

Section: Introductionmentioning

confidence: 99%

Benzimidazole-Triazole Hybrids as Antimicrobial and Antiviral Agents: A Systematic Review

Marinescu

2023

Antibiotics

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Bacterial infections have attracted the attention of researchers in recent decades, especially due to the special problems they have faced, such as their increasing diversity and resistance to antibiotic treatment. The emergence and development of the SARS-CoV-2 infection stimulated even more research to find new structures with antimicrobial and antiviral properties. Among the heterocyclic compounds with remarkable therapeutic properties, benzimidazoles, and triazoles stand out, possessing antimicrobial, antiviral, antitumor, anti-Alzheimer, anti-inflammatory, analgesic, antidiabetic, or anti-ulcer activities. In addition, the literature of the last decade reports benzimidazole-triazole hybrids with improved biological properties compared to the properties of simple mono-heterocyclic compounds. This review aims to provide an update on the synthesis methods of these hybrids, along with their antimicrobial and antiviral activities, as well as the structure–activity relationship reported in the literature. It was found that the presence of certain groups grafted onto the benzimidazole and/or triazole nuclei (-F, -Cl, -Br, -CF3, -NO2, -CN, -CHO, -OH, OCH3, COOCH3), as well as the presence of some heterocycles (pyridine, pyrimidine, thiazole, indole, isoxazole, thiadiazole, coumarin) increases the antimicrobial activity of benzimidazole-triazole hybrids. Also, the presence of the oxygen or sulfur atom in the bridge connecting the benzimidazole and triazole rings generally increases the antimicrobial activity of the hybrids. The literature mentions only benzimidazole-1,2,3-triazole hybrids with antiviral properties. Both for antimicrobial and antiviral hybrids, the presence of an additional triazole ring increases their biological activity, which is in agreement with the three-dimensional binding mode of compounds. This review summarizes the advances of benzimidazole triazole derivatives as potential antimicrobial and antiviral agents covering articles published from 2000 to 2023.

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A new 1-D polymeric chains of (C2H5N4)[CdCl3(H2O)] perovskite: elaboration, structure, surface interaction analysis, vibrational study, and thermal behavior

Mrad

2023

Chem. Pap.

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Synthesis, molecular modeling and antioxidant activity of new thiadiazolyl-triazole analogues

Cited by 6 publications

References 54 publications

Molecular Docking, Synthesis and Evaluation for Antioxidant and Antibacterial Activity of New Oxazepane and Benzoxazepine Derivatives

Molecular Docking, Synthesis and Evaluation for Antioxidant and Antibacterial Activity of New Oxazepane and Benzoxazepine Derivatives

Benzimidazole-Triazole Hybrids as Antimicrobial and Antiviral Agents: A Systematic Review

A new 1-D polymeric chains of (C2H5N4)[CdCl3(H2O)] perovskite: elaboration, structure, surface interaction analysis, vibrational study, and thermal behavior

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