Refined Crystal and Molecular Structure of Andrographolide — Diterpene

Abstract

30 1995 5 1 629-636 Refined Crystal and Molecular Structure of Andrographolide -Diterpene A refined crystal structure of andrographolide has been obtained by X-ray anaysis using CuKa radiation. It crystallizes in the monoclinic crystal system with unique b-axis in space group P2,. The unit cell parameters are a = 6.552(2)8,, b = 8.009(1)& c = 17.989(1)8, and interaxial angle p = 97.32(1)". The structure has been solved by direct methods and was refined up to R = 0.041, wR = 0.0464. Both the cyclohexane rings are in chair conformation with the furan ring in twist conformation. The crystal structure is stabilized by hydrogen bonding.

Charge density and electrostatic potential of hepatitis C anti-viral agent andrographolide: an experimental and theoretical study

“…The lowtemperature unit-cell parameters are slightly decreased, the maximum variation of unit-cell volume is 1.6%. However, this variation did not make any significant variation in the geometric parameters of the AGH molecule (Table S2); the values almost match those of the reported structure (Sambyal & Goswami, 1995). The unit-cell packing of the AGH molecule along the b axis is shown in Fig.…”

“…The room-temperature crystal structure of AGH has already been reported (Sambyal & Goswami, 1995). In the present study, the crystal structure of AGH is re-determined from low-temperature X-ray diffraction measurements to perform a charge density analysis.…”

A variable-temperature study of a phase transition in barbituric acid dihydrate

“…Barbituric acid is the parent molecule of the barbiturate family of drugs, which are of crystallographic interest not least for their propensity to form polymorphs. The 5,5-dialkyl derivatives are those which are pharmacologically active and which have been most extensively characterized by X-ray crystallography (Caillet & Claverie, 1980;Cleverley & Williams, 1959;Craven et al, , 1982, 1971McMullan et al, 1978;Nichol & Clegg, 2005a,b;Platteau et al, 2005;Sambyal et al, 1995;Williams, 1973Williams, , 1974. Contemporary research continues to focus on barbituric acid polymorphism as a model system for developing computational polymorph prediction techniques, something that is of major importance to the pharmaceutical industry (Lewis et al, 2004(Lewis et al, , 2005.…”

Microwave-Assisted Synthesis of Andrographolide Analogues as Potent β-Glycosidase Inhibitors

“…Both the six-membered rings adopt the chair conformation, whereas the five-membered ring is in an envelope conformation. 41 They were found to be structurally similar to some known glycosidase inhibitors to some extent. 42,43 However, there are limited reports about activities of the extracts or constituents of A. paniculata against β-glucosidases.…”

“…25 Moreover andrographolide also exerts antiproliferative and pro-apoptotic effects in RAFLSs, with G 0 /G 1 cell cycle arrest, amplifies the expression of cell-cycle inhibitors p21 and p27 and reduces cyclin-dependent kinase 4. 26 Glycosidase inhibitors are of particular interest in the development of potential pharmaceuticals such as antitumor, [27][28][29] antiviral, 30,31 antidiabetics, [32][33][34][35][36][37][38][39][40][41][42][43][44][45] and immunoregulatory agents. 36 The ethanolic extract of A. paniculata dis-M. Rahman et al…”