An article 4-Bromo-4′-chloro pyrazoline analog of curcumin augmented anticancer activity against human cervical cancer, HeLa cells: in silico-guided analysis, synthesis, and in vitro cytotoxicity WOS:000519157600007 published article about DRUG-DELIVERY; MOLECULAR DOCKING; INHIBITION; BETA; ENHANCEMENT; TARGETS; MODEL in [Chaudhary, Monika] IKG Punjab Tech Univ, Jalandhar, Punjab, India; [Chaudhary, Monika] Hindu Coll Pharm, Dept Med Chem, Sonepat, Haryana, India; [Kumar, Neeraj; Chandra, Ramesh] Univ Delhi, Dept Chem, Delhi, India; [Baldi, Ashish] Maharaja Ranjit Singh Punjab Tech Univ, Dept Pharmaceut Sci & Technol, Bathinda, Punjab, India; [Chandra, Ramesh] Univ Delhi, Dr BR Ambedkar Ctr Biomed Res, Delhi, India; [Babu, M. Arockia; Madan, Jitender] Chandigarh Coll Pharm, Dept Pharmaceut, Mohali 140307, Punjab, India in 2020.0, Cited 43.0. The Name is Chalcone. Through research, I have a further understanding and discovery of 94-41-7. Computed Properties of C15H12O
Inspired by the synergistic effects of hetero-aromatic scaffolds on curcumin, a novel array of pyrazoline substituted curcumin analogs was designed. Multi-scale computational studies were carried out to target the proposed analogs on human kinase beta (IKK-beta), a potential anti-cancer target. In molecular docking analysis, all the eleven molecules were observed to bind the target site and 4-bromo-4′-chloro analog displayed three hydrogen bond interactions with a docking score of -11.534 kcal/mol higher than parent molecule, curcumin (docking score = -7.12 kcal/mol) as the propellant shaped of analogs aided in proper binding with Kinase Domain binding pocket. The molecular dynamics and simulations studies revealed that the stable complexes of lead molecule were developed as the minimal deviations per residue of protein found within the range of 0.11 to 0.92 angstrom. The proposed compounds were synthesized, characterized and biologically evaluated against human cervical cancer cell line, HeLa, using standard MTT cell assay. Bio-evaluation studies exhibited superior cytotoxic profile for many analogs as Chloro bromo analog with IC50 value (8.7 mu g/mL) exhibited fivefolds improvement in the potency in comparison to curcumin (IC50 = 42.4 mu g/mL) but was less potent than the standard drug, paclitaxel (IC50 = 0.008 mu g/mL). The apoptotic effect was evaluated in the terms of caspase-3 enzyme cleavage and exhibited 70.5% of apoptosis significantly (p < 0.05) higher than 19.9% induced by curcumin. In short, 4-bromo-4'-chloro analog was the potent cytotoxic agent in this structural class and must be evaluated further under a set of stringent parameters for transforming in to a clinically viable therapeutic molecule. Communicated by Ramaswamy H. Sarma Computed Properties of C15H12O. About Chalcone, If you have any questions, you can contact Chaudhary, M; Kumar, N; Baldi, A; Chandra, R; Babu, MA; Madan, J or concate me.
Reference:
Thiazolidine – Wikipedia,
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