PMID- 25868621 OWN - NLM STAT- MEDLINE DCOM- 20160513 LR - 20181202 IS - 1744-5116 (Electronic) IS - 1388-0209 (Linking) VI - 53 IP - 12 DP - 2015 TI - Anti-HIV-1 integrase activity and molecular docking of compounds from Albizia procera bark. PG - 1861-6 LID - 10.3109/13880209.2015.1014568 [doi] AB - CONTEXT: 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. MATERIALS AND METHODS: The EtOH extract and isolated compounds of Albizia procera bark were examined for anti-HIV-1 IN activity at various concentrations (10-100 microg/mL and 10-100 microM) using the multiplate integration assay and molecular docking. RESULTS AND DISCUSSIONS: The results showed that the ethanol extract had good anti-HIV-1 IN activity with an IC50 value of 19.5 microg/mL, whereas ethyl acetate fraction exhibited the most potent with an IC50 value of 19.1 microg/mL, followed by water fraction (IC50 value = 21.3 microg/mL), hexane and chloroform fractions (IC50 value > 100 microg/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 microM, whereas protocatechuic acid (2) showed mild activity with 46.0% inhibition at concentration of 100 microM. (+)-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. FAU - Panthong, Pattarapan AU - Panthong P AD - Department of Pharmacognosy and Pharmaceutical Botany, Faculty of Pharmaceutical Sciences, Prince of Songkla University , Hat-Yai, Songkhla , Thailand . FAU - Bunluepuech, Kingkan AU - Bunluepuech K FAU - Boonnak, Nawong AU - Boonnak N FAU - Chaniad, Prapaporn AU - Chaniad P FAU - Pianwanit, Somsak AU - Pianwanit S FAU - Wattanapiromsakul, Chatchai AU - Wattanapiromsakul C FAU - Tewtrakul, Supinya AU - Tewtrakul S LA - eng PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20150414 PL - England TA - Pharm Biol JT - Pharmaceutical biology JID - 9812552 RN - 0 (HIV Integrase Inhibitors) RN - 0 (Plant Extracts) RN - EC 2.7.7.- (HIV Integrase) RN - YY6481J2FF (p31 integrase protein, Human immunodeficiency virus 1) SB - IM MH - *Albizzia MH - HIV Integrase/*metabolism MH - HIV Integrase Inhibitors/chemistry/isolation & purification/*metabolism MH - Molecular Docking Simulation/*methods MH - *Plant Bark MH - Plant Extracts/chemistry/isolation & purification/*metabolism OTO - NOTNLM OT - Catechin OT - HIV-1 IN activity OT - Mimosaceae OT - protocatechuic acid EDAT- 2015/04/15 06:00 MHDA- 2016/05/14 06:00 CRDT- 2015/04/15 06:00 PHST- 2015/04/15 06:00 [entrez] PHST- 2015/04/15 06:00 [pubmed] PHST- 2016/05/14 06:00 [medline] AID - 10.3109/13880209.2015.1014568 [doi] PST - ppublish SO - Pharm Biol. 2015;53(12):1861-6. doi: 10.3109/13880209.2015.1014568. Epub 2015 Apr 14.