Investigation of New Biologically Active Benzo[4,5]imidazo[1,2‐a]pyrimidine Derivatives as Broad‐Spectrum Antimicrobial Agents: Synthesis, Anti‐Biofilm, ROS and in Silico Studies DOI
Farid M. Sroor,

Ahmed F. El‐Sayed,

Mohamed Abdelraof

и другие.

Drug Development Research, Год журнала: 2025, Номер 86(3)

Опубликована: Май 1, 2025

ABSTRACT A new series of biologically active benzo[4,5]imidazo[1,2‐ a ]pyrimidine derivatives containing different substitutions such as thiophene, pyridine, pyrrole, and 3,4‐dimethoxyphenyl at carbon 2 and, phenyl‐pyrrolidinyl, ‐morpholinyl, ‐piperidinyl 4 were synthesized. The treatment chalcone 5‐16 with 2‐aminobenzimidazole in DMF drops TEA afforded the targeted ( 18‐29 ) good to excellent yields. These compounds tested evaluate their antimicrobial activity against microbial pathogens Aspergillus niger, Candida albicans, Staphylococcus aureus Salmonella typhimurium . Potently 19 23 contributed broad‐spectrum inhibition process all lower MIC values ranging between 10 60 µg/mL. Furthermore, efficiency potent inhibit biofilm formation was moderately detected by 18 , This study investigated potential synthesized through experimental computational approaches. Compounds 25 28 demonstrated strong binding affinities target proteins (1AD4, 2SIL, 4ZA5, 5TZ1), suggesting ability key enzymes via diverse molecular interactions. Computational ADMET profiling confirmed compliance Lipinski's rules, indicating favorable drug‐like properties. Molecular dynamics simulations further validated stability complexes formed stable RMSD (0.17–0.45 nm), low RMSF fluctuations (0.10–0.7 consistent structural compactness (Rg: 1.45–1.75 nm). Solvent exposure (SASA: 120–220 nm²) varied across complexes. results highlight compounds’ promising candidates for drug development, warranting preclinical exploration.

Язык: Английский

Three-step process for the synthesis of 10,11-dihydro-5H-dibenzo[b,f]azepin-10-ol derivatives DOI Creative Commons
Farid M. Sroor, Thierry Terme, Patrice Vanelle

и другие.

RSC Advances, Год журнала: 2025, Номер 15(9), С. 6737 - 6741

Опубликована: Янв. 1, 2025

We reported the synthesis of 10,11-dihydro-5H-dibenzo[b,f]azepin-10-ol derivatives, a class compounds that has been limitedly investigated in literature. Our approach streamlines synthetic process, allowing straightforward access to various substituted derivatives. This advancement not only enhances accessibility these derivatives for further research but also contributes development potential therapeutic agents targeting medical conditions.

Язык: Английский

Процитировано

1
Design, Synthesis, and Anticandidiasis Assessment of New Fluorine Containing Pyrimidines DOI

Sachin Saini,

Kanchan Rathore,

Neeraj Fauzdar

и другие.

ChemistrySelect, Год журнала: 2025, Номер 10(15)

Опубликована: Апрель 1, 2025

Abstract Candida albicans , a type of fungi, is quite adaptable and can survive in various parts the body including bloodstream, skin, mucosal surfaces, different organs. This pathogen cause debilitating mucocutaneous disease life‐threatening systemic infections humans. In this study, we investigated how effective newly synthesized pyrimidine derivatives are as antifungal agents. Pyrimidines special compounds made six‐membered rings containing two nitrogen atoms. We have molecules by substituting hydrogen mono‐ di‐fluorophenyl. Further all were tested against C. . shown that (80, 40, 20 µg/mL) exhibit inhibitory effect at growth stages: adhesion, development, maturation biofilm formation. Overall, study presents design, synthesis, anticandidal evaluation novel class derivatives. Specifically, observe fluorine‐substituted inhibition These findings contribute to development more potent pyrimidine‐based

Язык: Английский

Процитировано

0
Investigation of New Biologically Active Benzo[4,5]imidazo[1,2‐a]pyrimidine Derivatives as Broad‐Spectrum Antimicrobial Agents: Synthesis, Anti‐Biofilm, ROS and in Silico Studies DOI
Farid M. Sroor,

Ahmed F. El‐Sayed,

Mohamed Abdelraof

и другие.

Drug Development Research, Год журнала: 2025, Номер 86(3)

Опубликована: Май 1, 2025

ABSTRACT A new series of biologically active benzo[4,5]imidazo[1,2‐ a ]pyrimidine derivatives containing different substitutions such as thiophene, pyridine, pyrrole, and 3,4‐dimethoxyphenyl at carbon 2 and, phenyl‐pyrrolidinyl, ‐morpholinyl, ‐piperidinyl 4 were synthesized. The treatment chalcone 5‐16 with 2‐aminobenzimidazole in DMF drops TEA afforded the targeted ( 18‐29 ) good to excellent yields. These compounds tested evaluate their antimicrobial activity against microbial pathogens Aspergillus niger, Candida albicans, Staphylococcus aureus Salmonella typhimurium . Potently 19 23 contributed broad‐spectrum inhibition process all lower MIC values ranging between 10 60 µg/mL. Furthermore, efficiency potent inhibit biofilm formation was moderately detected by 18 , This study investigated potential synthesized through experimental computational approaches. Compounds 25 28 demonstrated strong binding affinities target proteins (1AD4, 2SIL, 4ZA5, 5TZ1), suggesting ability key enzymes via diverse molecular interactions. Computational ADMET profiling confirmed compliance Lipinski's rules, indicating favorable drug‐like properties. Molecular dynamics simulations further validated stability complexes formed stable RMSD (0.17–0.45 nm), low RMSF fluctuations (0.10–0.7 consistent structural compactness (Rg: 1.45–1.75 nm). Solvent exposure (SASA: 120–220 nm²) varied across complexes. results highlight compounds’ promising candidates for drug development, warranting preclinical exploration.

Язык: Английский

Процитировано

0