In silico Molecular Docking, Preclinical Evaluation of Spiroindimicins A-D, lynamicin A and D isolated from deep marine sea derived Streptomyces sp SCSIO 03032
文献类型：期刊论文
| 作者 | Saurav, K ; Zhang, WJ ; Saha, S ; Zhang, HB ; Li, SM ; Zhang, QB ; Wu, ZC ; Zhang, GT ; Zhu, YG ; Verma, G |
| 刊名 | INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES
 |
| 出版日期 | 2014 |
| 卷号 | 6期号:3页码:187-196 |
| 关键词 | Streptomyces sp SCSIO 03032 In silico molecular docking spiroindimicins drug likeliness and ADME |
| ISSN号 | 1913-2751 |
| 通讯作者 | sauravverma17@gmail.com |
| 中文摘要 | The criteria used for successful drug discovery involves high throughput screening for preclinical evaluation and its interaction with target enzymes. In silico approach resulting in the creation of drug like library and identification of essential reactions and pathways spreads across several parts of metabolism. The aim of the present study was to evaluate the preclinical property and interaction to various drug target enzymes for spiroindimicins A-D and lynamicin A and D isolated from deep marine sea derived Streptomyces sp. SCSIO 03032 with 7 selected drug target enzymes. The preclinical and molecular docking simulation was performed using In silico pharmacology and docking tool. Drug likeliness, ADME and toxicity testing findings suggested the compounds with oral drug candidate's probability. Interaction of isolated compounds against drug target enzymes was satisfactory with Spiroindimicins C, D and Lynamicin D emerging as most potent Topoisomerase II, Cathepsin K, Cytochrome P4503A4, Aromatase P450, protein kinase and histone deacetylase inhibitors. Our results suggest that In silico approach in drug discovery procedure in later stage of development can ease up making lead molecules library. |
| 学科主题 | Mathematical & Computational Biology |
| 收录类别 | SCI |
| 原文出处 | SPRINGER HEIDELBERG |
| WOS记录号 | WOS:000342061000003 |
| 公开日期 | 2014-12-11 |
| 源URL | [http://ir.scsio.ac.cn/handle/344004/10387]  |
| 专题 | 南海海洋研究所_中科院海洋生物资源可持续利用重点实验室 |
| 推荐引用方式 GB/T 7714 | Saurav, K,Zhang, WJ,Saha, S,et al. In silico Molecular Docking, Preclinical Evaluation of Spiroindimicins A-D, lynamicin A and D isolated from deep marine sea derived Streptomyces sp SCSIO 03032[J]. INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES,2014,6(3):187-196. |
| APA | Saurav, K.,Zhang, WJ.,Saha, S.,Zhang, HB.,Li, SM.,...&Verma, G.(2014).In silico Molecular Docking, Preclinical Evaluation of Spiroindimicins A-D, lynamicin A and D isolated from deep marine sea derived Streptomyces sp SCSIO 03032.INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES,6(3),187-196. |
| MLA | Saurav, K,et al."In silico Molecular Docking, Preclinical Evaluation of Spiroindimicins A-D, lynamicin A and D isolated from deep marine sea derived Streptomyces sp SCSIO 03032".INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES 6.3(2014):187-196. |
入库方式： OAI收割
来源：南海海洋研究所
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