Journal of Drugs and Pharmaceutical Science最新文献

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Probing the binding sites, global energy and molecular interactions between ponatinib, cabozantinib and sunitinib anticancer drugs with vascular endothelial growth factor 探讨波纳替尼、卡博赞替尼和舒尼替尼抗癌药物与血管内皮生长因子的结合位点、全局能量和分子相互作用

Journal of Drugs and Pharmaceutical Science Pub Date : 2017-10-30 DOI: 10.31248/JDPS2017.007

K. K. Igwe, I. Otuokere, O. Ikpeazu

{"title":"Probing the binding sites, global energy and molecular interactions between ponatinib, cabozantinib and sunitinib anticancer drugs with vascular endothelial growth factor","authors":"K. K. Igwe, I. Otuokere, O. Ikpeazu","doi":"10.31248/JDPS2017.007","DOIUrl":"https://doi.org/10.31248/JDPS2017.007","url":null,"abstract":"Global Energy, binding sites and molecular interactions between ponatinib, cabozantinib and sunitinib anticancer drugs with vascular endothelial growth factor was probed to find the best binding energy at the active site. The structures of ponatinib, cabozantinib and sunitinib were drawn and constructed using window based program of ArgusLab and ACDlab ChemSketch softwares. Docking studies were performed using the Patchdock and Firedock online software packages. The protein data bank (PDB) file of the crystal structure of vascular endothelial growth factor (VEGF) was subjected to refinement protocols. The interactive docking method was carried out for all the conformers of each compound in the selected active site. The docked compound was assigned a score according to its fit in the ligand binding pocket (LBP) and its binding mode. The docked complexes were interpreted using Molecular Molegro viewer software. The best binding energy (minimum energy) is -18.12 Kcal/mol, -21.63 Kcal/mol and -14.00 Kcal/mol for ponatinib, cabozantinib and sunitinib respectively. The negative value of the binding energy shows that ponatinib, cabozantinib and sunitinib can selectively inhibit vascular endothelial growth factor (VEGF).","PeriodicalId":413294,"journal":{"name":"Journal of Drugs and Pharmaceutical Science","volume":"29 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2017-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123553235","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Anti-inflammatory and anti-nociceptive potentials of Salacia lehmbachii leaves 莴苣叶的抗炎和抗伤害潜能

Journal of Drugs and Pharmaceutical Science Pub Date : 2017-10-30 DOI: 10.31248/JDPS2017.009

A. D. Essien, G. Essiet, G. Akuodor, E. E. Thomas, F. Udoh

{"title":"Anti-inflammatory and anti-nociceptive potentials of Salacia lehmbachii leaves","authors":"A. D. Essien, G. Essiet, G. Akuodor, E. E. Thomas, F. Udoh","doi":"10.31248/JDPS2017.009","DOIUrl":"https://doi.org/10.31248/JDPS2017.009","url":null,"abstract":"For decades, the leaves of Salacia lehmbachii Loes (SL), which belong to the family of Celastraceae are acceptably used in south-eastern parts of Nigeria in traditional medicine for the treatment of fever and painful conditions. This study assessed the anti-inflammatory and anti-nociceptive effects of its water extracts on inflammation and nociception in rats. Doses of 100, 200 and 400 mg/kg of water extract of SL were used in elucidating anti-inflammatory activities in Wistar rats and mice by using carrageenan, egg albumin-induced paw and xylene-induced ear oedema; while acetic acid-induced writhing/abdominal muscle constriction, formalin-induced nociception and tail immersion models were used for analgesic study. In each study, 30 animals were randomly selected and grouped into five with six animals per group. Group 1(control) received 20 mL/kg of distilled water; groups 2 to 4 received 100, 200 and 400 mg/kg of the extract respectively; while group 5 received 150 mg/kg of aspirin and 10 mg/kg of morphine (tail immersion study). The ED50 of the water extract was 200 mg/kg. The water extract of the SL leaves showed significant (p<0.05) dose-dependent effects in all the parameters. Doses of 200 and 400 mg/kg showed comparable effects to those effects exhibited by the respective positive controls: - aspirin (anti-inflammatory study); aspirin and morphine (analgesic study). The water extract of the SL leaves possesses potent anti-inflammatory and analgesic properties. The results justify the claim by the herbalists and its use in folkloric medicines for pains and conditions associated with pains.","PeriodicalId":413294,"journal":{"name":"Journal of Drugs and Pharmaceutical Science","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2017-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126327665","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

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