Indian Institute of Technology Indore

About: Indian Institute of Technology Indore is a education organization based out in Indore, Madhya Pradesh, India. It is known for research contribution in the topics: Computer science & Chemistry. The organization has 1606 authors who have published 4803 publications receiving 66500 citations.

Structural Insight into the interaction of Flavonoids with Human Telomeric Sequence

Abstract: Flavonoids are a group of naturally available compounds that are an attractive source for drug discovery. Their potential to act as anti-tumourigenic and anti-proliferative agents has been reported previously but is not yet fully understood. Targeting human telomeric G-quadruplex DNA could be one of the mechanisms by which these flavonoids exert anticancer activity. We have performed detailed biophysical studies for the interaction of four representative flavonoids, Luteolin, Quercetin, Rutin and Genistein, with the human telomeric G-quadruplex sequence tetramolecular d-(T2AG3T) (Tel7). In addition, we used NMR spectroscopy to derive the first model for the complex formed between Quercetin and G-quadruplex sequence. The model showed that Quercetin stabilises the G-quadruplex structure and does not open the G-tetrad. It interacts with the telomeric sequence through π-stacking at two sites: between T1pT2 and between G6pT7. Based on our findings, we suggest that Quercetin could be a potent candidate for targeting the telomere and thus, act as a potent anti-cancer agent.

Mechanochromism and aggregation induced emission in benzothiazole substituted tetraphenylethylenes: a structure function correlation

Abstract: The donor–acceptor benzothiazole substituted tetraphenylethylenes (BT-TPEs) 3a–3c were designed and synthesized to examine the effect of the linkage between the BT and the TPE unit on the photophysical, aggregation induced emission (AIE) and mechanochromic properties. The syntheses of BT-TPEs 3a–3c were achieved by the Pd-catalyzed Suzuki cross-coupling reaction of bromobenzothiazoles 1a–1c with 4-(1,2,2-triphenylvinyl)phenylboronic acid pinacol ester (2). The study showed that their photophysical, AIE and mechanochromic properties are dependent on the linkage between the BT and the TPE unit (ortho, meta, and para). The meta isomer 3b shows the highest grinding induced spectral shift (51 nm) whereas the ortho isomer 3a shows the lowest grinding induced spectral shift (9 nm). The single crystal X-ray structures reveal the highly twisted conformation and tight packing in BT-TPE 3a compared to 3b. The thermogravimetric analysis of BT-TPEs shows good thermal stability. The computational study reveals the donor–acceptor nature of the BT-TPEs. The structure–function correlation indicates that the mechanochromic and aggregation induced emission (AIE) properties were dependent on the linkage between BT and TPE.