Authors Faudzi, SMM; Abdullah, MA; Manap, MRA; Ismail, AZ; Rullah, K; Aluwi, MFFM; Ramli, ANM; Abas, F; Lajis, NH in ACADEMIC PRESS INC ELSEVIER SCIENCE published article about CURCUMIN ANALOGS; KAPPA-B; DERIVATIVES; INFLAMMATION; FLAVONOIDS; SYNTHASE in [Faudzi, Siti Munirah Mohd; Abdullah, Maryam Aisyah; Manap, Mohd Rashidi Abdull; Ismail, Ahmad Zaidi] Univ Putra Malaysia, Fac Sci, Dept Chem, Serdang 43400, Selangor, Malaysia; [Faudzi, Siti Munirah Mohd; Abas, Faridah; Lajis, Nordin H.] Univ Putra Malaysia, Inst Biosci, Lab Nat Prod, Serdang 43400, Selangor, Malaysia; [Rullah, Kamal] Int Islamic Univ Malaysia, Kuliyyah Pharm, Dept Pharmaceut Chem, Kuantan 25200, Pahang, Malaysia; [Aluwi, Mohd Fadhlizil Fasihi Mohd; Ramli, Aizi Nor Mazila] Univ Malaysia Pahang, Fac Ind Sci & Technol, Kuantan 26300, Pahang, Malaysia; [Abas, Faridah] Univ Putra Malaysia, Fac Food Sci & Technol, Dept Food Sci, Serdang 43400, Selangor, Malaysia in 2020.0, Cited 40.0. Category: isothiazole. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7
In search of potent anti-inflammatory agents, twenty-four chalcone derivatives including seven new compounds (13 – 17, 21 and 23) containing pyrrole moiety were designed, synthesized, and assessed for their nitric oxide (NO) and prostaglandin E-2 (PGE(2)) suppression ability on IFN-gamma/LPS-induced RAW 264.7 macrophage cells. Results showed that none of the synthesized compounds were PAINS-associated molecules, with 3-(2,5-dimethoxyphenyl)-1-(1H-pyrrol-2-yl) prop-2-en-1-one (compound 16) exhibiting remarkable inhibition activity towards PGE(2) and NO production with IC50 values of 0.5 +/- 1.5 mu M and 12.1 +/- 1.5 mu M, respectively. Physicochemical and ADMET studies showed that majority of the compounds obey to Lipinski’s rule of five (RO5) having high blood brain barrier (BBB) penetration, human intestinal absorption (HIA), P- glycoprotein (PgP) inhibition and plasma binding protein (PPB) inhibition. The obtained atomic coordinates for the single-crystal XRD of 16 were then applied in a molecular docking simulation, and compound 16 was found to participate in a number of important binding interactions in the binding sites of ERK and mPGES-1. Based on these results, we have observed the potential of compound 16 as a new hit anti-inflammatory agent, and these findings could serve as a basis for further studies on its mechanism of action.
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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com