Vibrational and theoretical analysis of pentyl-4-benzoyl-1-[2,4-dinitrophenyl]-5-phenyl-1H-pyrazole-3-carboxylate.

Infrared spectrum of the compound, pentyl-4-benzoyl-1-[2,4-dinitrophenyl]-5-phenyl-1H-pyrazole-3-carboxylate (PBDPPC) has been measured. Conformational search through relaxed scan has been carried out to find the most stable conformational isomer. After the full geometry optimization for the most stable conformer using B3LYP and BLYP hybrid functionals of Density Functional Theory (DFT), vibrational normal modes have been calculated at the same theoretical levels. Potential Energy Distribution (PED) of each normal mode has been calculated by means of VEDA4 to obtain contributions of internal coordinates to the normal modes. Natural Bond Orbital (NBO) analysis has been performed to get insights into the possible hydrogen bonding sites for all the conformational isomers.

Hepatoprotective and TNF-α inhibitory activity of Zosima absinthifolia extracts and coumarins.

Zosima absinthifolia (ZA) extracts and the coumarins (+)-columbianadin and (-)-deltoin were evaluated for their potential hepatoprotective and antiinflamatory effects in a CCl(4)-induced hepatotoxicity assay in rats and by the inhibition of TNF-α production on LPS-stimulated THP-1 macrophages, respectively. Both the ZA extracts and the coumarins showed hepatoprotective activity confirmed by monitoring the ALT/AST levels and by histopathological examination. The antiinflamatory activity, proved by the inhibition of TNF-α production, was found to be higher for the n-hexane root extract than for coumarins, suggesting synergic potential of the extract. The concentration of (-)-deltoin and (+)-columbianadin in extracts was determined by HPLC analysis.

Analgesic compounds from Scorzonera latifolia (Fisch. and Mey.) DC.

ETHNOPHARMACOLOGICAL RELEVANCE: A traditional mastic named yaki sakizi prepared from the roots of Scorzonera latifolia (Fisch. and Mey.) DC. is used as a folk remedy for treatment of pain in Turkish folk medicine. AIM OF THE STUDY: To isolate and identify the compounds responsible for the antinociceptive activity of S. latifolia using bioassay-guided fractionation. MATERIALS AND METHODS: The methanolic extract of the S. latifolia roots was prepared and subjected to isolation procedures such as solvent-solvent partitioning and column chromatography. Writhing and tail-flick tests were used to determine the antinociceptive activity. RESULTS: The n-hexane fraction of the S. latifolia root methanolic extract showed potent antinociceptive activity in both writhing and tail-flick tests. Three compounds were isolated from n-hexane fraction using bioassay-guided chromatographic purification. Isolated compounds were the triterpene taraxasteryl myristate, taraxasteryl acetate, and fern-7-en-3-beta-one, structures were elucidated by means of MS and NMR techniques. Both taraxasterol derivatives showed promising antinociceptive activity when compared to reference compounds. CONCLUSION: Results of the present study support the usage of S. latifolia in Turkish folk medicine. Both plant root extract and the isolated compounds showed promising antinociceptive activities. Our results suggested that antinociceptive activity of the plant extract is probably caused by the synergistic interaction of the isolated compounds.

Evaluation of anti-inflammatory and antinociceptive activities of some Onosma L. species growing in Turkey.

ETHNOPHARMACOLOGICAL RELEVANCE: Roots of Onosma species are used for the treatment of various disorders such as bronchitis, tonsillitis, hemorrhoids as well as alleviating pains in folk medicine in Turkey. AIM OF THE STUDY: The chloroform and ethanol (70%) extracts obtained from the roots of Onosma species (Boraginaceae) growing in Turkey, Onosma aucheranum DC., Onosma isauricum Boiss. and Heldr. (endemic), Onosma sericeum Willd., Onosma tauricum Pallas ex Willd. var. brevifolium DC. (endemic) and Onosma tauricum Pallas ex Willd. var. tauricum (Syn: Onosma velenovskyi Davidov) were evaluated for in vivo anti-inflammatory and antinociceptive activities. MATERIALS AND METHODS: For the preliminary screening, carrageenan-induced hind paw edema for the anti-inflammatory activity and, p-benzoquinone-induced abdominal constriction test for the antinociceptive activity were used in mice. RESULTS: The chloroform extracts from Onosma aucheranum and Onosma isauricum and ethanolic extracts from Onosma isauricum and Onosma sericeum demonstrated 28.0%, 34.3%, 24.6% and, 27.5% inhibition in p-benzoquinone-induced abdominal constriction test. The chloroform and ethanol (70%) extracts of Onosma isauricum and ethanol (70%) extract of Onosma sericeum also exhibited marked inhibition, ranging between 12.3-27.3%, 10.5-25.3%, 8.2-22.6%, respectively, in carrageenan-induced hind paw edema model at 100mg/kg dose without gastric damage and the activity was quite comparable to indomethacin (32.0-38.4% inhibition) as a reference sample. Neither death nor gastric bleeding was observed for any of the plant extracts during the acute toxicity evaluation. CONCLUSION: The experimental data demonstrated that Onosma aucheranum, Onosma isauricum and Onosma sericeum displayed remarkable anti-inflammatory and antinociceptive activities.