Synthesis, antimycobacterial screening, molecular docking, ADMET prediction and pharmacological evaluation on novel pyran-4-one bearing hydrazone, triazole and isoxazole moieties: Potential inhibitors of SARS CoV-2

Ravisankar, N; Sarathi, N; T, Maruthavanan; Ramasundaram, Subramaniyan; Рамеш, М. Р.; Sankar, Cheriyedath Raj; Umamatheswari, S.; Kanthimathi, G; Oh, Tae Hwan

doi:10.1016/j.molstruc.2023.135461

Cited by 3 publications

(1 citation statement)

References 59 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Hydrazones are fascinating chelating agents, which have been considered as an attractive point for coordination chemists. Hydrazones and their chelates (with transition or non‐transition) metal ions displayed numerous pharmacological performances, comprising antimicrobial, 1 antidiabetic, 2 anti‐arthritic, 3 antioxidant, 4 antituberculosis, 5 anticancer, 6,7 antitrypanosome, 8 antimalarial, 9 anti‐SARS CoV‐2, 10 and anti‐Alzheimer 11 agents. In addition, they are also used as sensors 12 and in corrosion inhibition 13 …”

Section: Introductionmentioning

confidence: 99%

Structural versatility in nickel (II) complexes of a hydrazone ligand based on alloxan: Preparation, spectroscopic, DFT, anticancer, and molecular docking studies

El‐Inany,

Seleem,

El‐Shafiy

et al. 2024

Applied Organom Chemis

View full text Add to dashboard Cite

New binary and mixed‐ligand nickel (II) chelates of a hyrdazone ligand (HYQX) carrying alloxan and quinoline moieties were synthesized. Spectroscopic and analytical techniques were effectively used for identifying the composition and structure of the prepared nickel (II) HYQX chelates. The neutral nature of Ni‐HYQX complexes was demonstrated by molar conductivity studies, and magnetic moment values revealed octahedral geometry. The results demonstrated that HYQX behaves as a monoanionic di‐/tridentate chelating agent in all complexes, except nitrato C2 and acetato C4 complexes, which are bi‐ and tri‐nuclear complexes, respectively, with a unique mode of coordination. The thermal decomposition patterns of Ni‐HYQX complexes were investigated in relation to structure, and thermodynamic parameters were successfully calculated. The molecular structural features of HYQX and its Ni (II) chelates were investigated based on density functional theory (DFT) level at B3LYP/6‐311G(d,p) and LanL2dz level. Ni‐HYQX complexes were found to have anticancer action against Ehrlich Ascites Carcinoma. A molecular docking investigation was conducted to determine in what way the title compounds connect to the CDK‐5 inhibitor‐crystal structure of the inhibitor EFP with CDK‐2 (PDB ID: 3IG7) in order to verify their biological activity.

show abstract

Section: Introductionmentioning

confidence: 99%

Structural versatility in nickel (II) complexes of a hydrazone ligand based on alloxan: Preparation, spectroscopic, DFT, anticancer, and molecular docking studies

El‐Inany,

Seleem,

El‐Shafiy

et al. 2024

Applied Organom Chemis

View full text Add to dashboard Cite

show abstract

Synthesis, characterization and anti-microbiological evaluation of 2-[(2,6-diaryl piperidin-4-yl)hydrazono]-2,3-dihydrothiazoles as a new class of antimicrobial agents

Sarathi,

Ashok Kumar,

Sankar

2024

J IRAN CHEM SOC

View full text Add to dashboard Cite

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

Marinescu

2023

Antibiotics

View full text Add to dashboard Cite

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.

show abstract

Synthesis, antimycobacterial screening, molecular docking, ADMET prediction and pharmacological evaluation on novel pyran-4-one bearing hydrazone, triazole and isoxazole moieties: Potential inhibitors of SARS CoV-2

Cited by 3 publications

References 59 publications

Structural versatility in nickel (II) complexes of a hydrazone ligand based on alloxan: Preparation, spectroscopic, DFT, anticancer, and molecular docking studies

Structural versatility in nickel (II) complexes of a hydrazone ligand based on alloxan: Preparation, spectroscopic, DFT, anticancer, and molecular docking studies

Synthesis, characterization and anti-microbiological evaluation of 2-[(2,6-diaryl piperidin-4-yl)hydrazono]-2,3-dihydrothiazoles as a new class of antimicrobial agents

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

Contact Info

Product

Resources

About