title: Anti-HIV-1 integrase activity and molecular docking of compounds from Albizia procera bark.
abstract: BACKGROUND
  Albizia procera (Roxb.) Benth. (Mimosaceae) has been traditionally used in Thai longevity preparations. Thus, searching for HIV-1 integrase (HIV-1 IN) agents from natural sources is of interest.
  
  
  OBJECTIVE
  The objective of this study is to examine the inhibitory activity against HIV-1 IN of compounds isolated from the stem bark of Albizia procera.
  
  
  METHODS
  The EtOH extract and isolated compounds of Albizia procera bark were examined for anti-HIV-1 IN activity at various concentrations (10-100 µg/mL and 10-100 µM) using the multiplate integration assay and molecular docking.
  
  
  CONCLUSIONS
  The results showed that the ethanol extract had good anti-HIV-1 IN activity with an IC50 value of 19.5 µg/mL, whereas ethyl acetate fraction exhibited the most potent with an IC50 value of 19.1 µg/mL, followed by water fraction (IC50 value = 21.3 µg/mL), hexane and chloroform fractions (IC50 value > 100 µg/mL), respectively. From bioassay-guided isolation, the ethyl acetate fraction was further separated to give two compounds which are (+)-catechin (1) and protocatechuic acid (2), respectively. Of the tested samples, (+)-catechin (1) exhibited appreciable activity against HIV-1 IN with an IC50 value of 46.3 µM, whereas protocatechuic acid (2) showed mild activity with 46.0% inhibition at concentration of 100 µM. (+)-Catechin (1) could interact with Thr66, Gly148, and Glu152 in the core domain of IN enzyme, whereas protocatechuic acid (2) could bind with Thr66, His67, Glu152, Asn155, and Lys159. This is the first report on anti-HIV-1 IN activity of Albizia procera bark. These results may suggest that Albizia procera bark has potential as anti-HIV-1 IN agent.
authors: Department of Pharmacognosy and Pharmaceutical Botany, Faculty of Pharmaceutical Sciences, Prince of Songkla University , Hat-Yai, Songkhla , Thailand .
authors: Pattarapan
authors: P
authors: Panthong
authors: Kingkan
authors: K
authors: Bunluepuech
authors: Nawong
authors: N
authors: Boonnak
authors: Prapaporn
authors: P
authors: Chaniad
authors: Somsak
authors: S
authors: Pianwanit
authors: Chatchai
authors: C
authors: Wattanapiromsakul
authors: Supinya
authors: S
authors: Tewtrakul
mesh_terms: D031289:Albizzia; D019427:HIV Integrase / Q000378:metabolism*; D019428:HIV Integrase Inhibitors / Q000737:chemistry / Q000302:isolation & purification / Q000378:metabolism*; D062105:Molecular Docking Simulation / Q000379:methods*; D024301:Plant Bark; D010936:Plant Extracts / Q000737:chemistry / Q000302:isolation & purification / Q000378:metabolism*
chemical_list: D019428:HIV Integrase Inhibitors; D010936:Plant Extracts; D019427:HIV Integrase; C514801:p31 integrase protein, Human immunodeficiency virus 1
keywords: Catechin; HIV-1 IN activity; Mimosaceae; protocatechuic acid