Matches in SemOpenAlex for { <https://semopenalex.org/work/W4386916318> ?p ?o ?g. }
- W4386916318 endingPage "136669" @default.
- W4386916318 startingPage "136669" @default.
- W4386916318 abstract "In this comprehensive scientific study, we present the synthesis, characterization, and detailed analysis of two Schiff base compounds, (E)-4-((4-bromobenzylidene)amino)-N-(thiazole-2-yl)benzenesulfonamide (4BRTH) and (E)-4-((1-phenylethylidene)amino)-N-(thiazole-2-yl)benzenesulfonamide (APTH). These Schiff bases were synthesized from sulfathiazole, 4-bromobenzaldehyde, and acetophenone, employing acid-catalyzed reactions. The compounds were characterized using spectroscopic techniques, including UV, IR, and NMR. Notably, the UV spectra revealed absorption peaks at 295, 328, and 345 nm for 4BRTH and 270, 295, and 325 nm for APTH, with calculated oscillator strengths of 0.497, 0.3637, and 0.4138 for 4BRTH and 0.4841, 0.0005, and 0.1247 for APTH. Furthermore, fluorescence studies indicated unique emission peaks at 401 nm and 706 nm for 4BRTH and 412 nm and 725 nm for APTH, with excitation wavelengths at 297 nm for 4BRTH and 289 nm for APTH. The compounds displayed fluorescence characteristics, further showcasing their potential as fluorescent probes. Computational simulations were performed using various theoretical levels, including DFT calculations with the B3LYP functional and cc-pVDZ basis sets. The HOMO-LUMO gap was found to be 1.83 eV for 4BRTH and 2.04 eV for APTH, suggesting their reactivity towards other molecules. Theoretical binding energies from molecular docking studies against the breast cancer-related protein 6NLV revealed binding affinities of -18.63 kcal/mol for 4BRTH and -19.84 kcal/mol for APTH, providing insights into their potential anti-cancer activity. Moreover, in vitro anti-cancer assays conducted on MCF7 breast cancer cells demonstrated that both compounds exhibited anti-cancer activity with IC50 values. Importantly, the IC50 values were within the range of the standard anti-cancer drug cisplatin, which had an IC50 value of 62.5 μg/mL. These findings underscore the potential of 4BRTH and APTH as candidates for further anti-cancer drug development." @default.
- W4386916318 created "2023-09-22" @default.
- W4386916318 creator A5044269820 @default.
- W4386916318 creator A5053142951 @default.
- W4386916318 date "2024-01-01" @default.
- W4386916318 modified "2023-09-27" @default.
- W4386916318 title "Solution stage fluorescence and anti-cancer properties of azomethine compounds from sulpha drugs: Synthesis, experimental and theoretical insights" @default.
- W4386916318 cites W1982539988 @default.
- W4386916318 cites W2008708918 @default.
- W4386916318 cites W2018440233 @default.
- W4386916318 cites W2025417017 @default.
- W4386916318 cites W2031599528 @default.
- W4386916318 cites W2045128230 @default.
- W4386916318 cites W2082622777 @default.
- W4386916318 cites W2094376917 @default.
- W4386916318 cites W2097303062 @default.
- W4386916318 cites W2105668062 @default.
- W4386916318 cites W2169346604 @default.
- W4386916318 cites W2414552248 @default.
- W4386916318 cites W2415036177 @default.
- W4386916318 cites W2805199958 @default.
- W4386916318 cites W2900205954 @default.
- W4386916318 cites W2902653289 @default.
- W4386916318 cites W2947026434 @default.
- W4386916318 cites W2980858541 @default.
- W4386916318 cites W2989016116 @default.
- W4386916318 cites W3034043800 @default.
- W4386916318 cites W3078690673 @default.
- W4386916318 cites W3092244505 @default.
- W4386916318 cites W3111236033 @default.
- W4386916318 cites W3127999245 @default.
- W4386916318 cites W3155020787 @default.
- W4386916318 cites W3155473987 @default.
- W4386916318 cites W3165402061 @default.
- W4386916318 cites W3173376560 @default.
- W4386916318 cites W3186263404 @default.
- W4386916318 cites W3191463060 @default.
- W4386916318 cites W3197879104 @default.
- W4386916318 cites W3198058739 @default.
- W4386916318 cites W3200524854 @default.
- W4386916318 cites W3200616657 @default.
- W4386916318 cites W3215794983 @default.
- W4386916318 cites W4213174216 @default.
- W4386916318 cites W4220997435 @default.
- W4386916318 cites W4221020413 @default.
- W4386916318 cites W4223450755 @default.
- W4386916318 cites W4225164025 @default.
- W4386916318 cites W4281491878 @default.
- W4386916318 cites W4281679692 @default.
- W4386916318 cites W4281872151 @default.
- W4386916318 cites W4282830901 @default.
- W4386916318 cites W4283010460 @default.
- W4386916318 cites W4291014516 @default.
- W4386916318 cites W4291318715 @default.
- W4386916318 cites W4294091429 @default.
- W4386916318 cites W4294845632 @default.
- W4386916318 cites W4294958152 @default.
- W4386916318 cites W4295873433 @default.
- W4386916318 cites W4296197497 @default.
- W4386916318 cites W4296824339 @default.
- W4386916318 cites W4306678513 @default.
- W4386916318 cites W4306722769 @default.
- W4386916318 cites W4307815453 @default.
- W4386916318 cites W4308486527 @default.
- W4386916318 cites W4311035325 @default.
- W4386916318 cites W4311093360 @default.
- W4386916318 cites W4311458211 @default.
- W4386916318 cites W4311772776 @default.
- W4386916318 cites W4311773125 @default.
- W4386916318 cites W4313350184 @default.
- W4386916318 cites W4378978635 @default.
- W4386916318 doi "https://doi.org/10.1016/j.molstruc.2023.136669" @default.
- W4386916318 hasPublicationYear "2024" @default.
- W4386916318 type Work @default.
- W4386916318 citedByCount "0" @default.
- W4386916318 crossrefType "journal-article" @default.
- W4386916318 hasAuthorship W4386916318A5044269820 @default.
- W4386916318 hasAuthorship W4386916318A5053142951 @default.
- W4386916318 hasConcept C121332964 @default.
- W4386916318 hasConcept C14158195 @default.
- W4386916318 hasConcept C142724271 @default.
- W4386916318 hasConcept C147597530 @default.
- W4386916318 hasConcept C159110408 @default.
- W4386916318 hasConcept C178790620 @default.
- W4386916318 hasConcept C185592680 @default.
- W4386916318 hasConcept C204787440 @default.
- W4386916318 hasConcept C2776428424 @default.
- W4386916318 hasConcept C2776910235 @default.
- W4386916318 hasConcept C2778464347 @default.
- W4386916318 hasConcept C32909587 @default.
- W4386916318 hasConcept C41685203 @default.
- W4386916318 hasConcept C62520636 @default.
- W4386916318 hasConcept C71240020 @default.
- W4386916318 hasConcept C71924100 @default.
- W4386916318 hasConcept C75473681 @default.
- W4386916318 hasConcept C91881484 @default.
- W4386916318 hasConceptScore W4386916318C121332964 @default.
- W4386916318 hasConceptScore W4386916318C14158195 @default.