Int. J. Comput. Biol. Drug Des.最新文献

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Exploring the molecular structural requirements of Withania somnifera (Ashwagandha) as human acetylcholinesterase inhibitors using molecular modelling studies 利用分子模拟研究探讨了苦藤作为人乙酰胆碱酯酶抑制剂的分子结构要求
Int. J. Comput. Biol. Drug Des. Pub Date : 2022-01-01 DOI: 10.1504/ijcbdd.2022.10051588
U. A. More, Shruti Damania, Parth N. Desai, Vishalsinh Chauhan, Drashti Dhaduk, Kashish Desai, M. Noolvi
{"title":"Exploring the molecular structural requirements of Withania somnifera (Ashwagandha) as human acetylcholinesterase inhibitors using molecular modelling studies","authors":"U. A. More, Shruti Damania, Parth N. Desai, Vishalsinh Chauhan, Drashti Dhaduk, Kashish Desai, M. Noolvi","doi":"10.1504/ijcbdd.2022.10051588","DOIUrl":"https://doi.org/10.1504/ijcbdd.2022.10051588","url":null,"abstract":"","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"11 1","pages":"172-194"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90696265","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
Determination of relationships among cancer-related genes using Bayesian networks 利用贝叶斯网络确定癌症相关基因之间的关系
Int. J. Comput. Biol. Drug Des. Pub Date : 2022-01-01 DOI: 10.1504/ijcbdd.2022.10051972
M. K. Ahenkan, E. Adabor, K. Darkwah
{"title":"Determination of relationships among cancer-related genes using Bayesian networks","authors":"M. K. Ahenkan, E. Adabor, K. Darkwah","doi":"10.1504/ijcbdd.2022.10051972","DOIUrl":"https://doi.org/10.1504/ijcbdd.2022.10051972","url":null,"abstract":"","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"25 1","pages":"139-154"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83179568","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
Computational identification of personal genetic variants in an identical twin sisters' family 一个同卵双胞胎姐妹家庭中个人基因变异的计算鉴定
Int. J. Comput. Biol. Drug Des. Pub Date : 2022-01-01 DOI: 10.1504/ijcbdd.2022.10050957
Ruoxian Huang, Ruoyan Huang, Yongsheng Bai
{"title":"Computational identification of personal genetic variants in an identical twin sisters' family","authors":"Ruoxian Huang, Ruoyan Huang, Yongsheng Bai","doi":"10.1504/ijcbdd.2022.10050957","DOIUrl":"https://doi.org/10.1504/ijcbdd.2022.10050957","url":null,"abstract":"","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"45 1","pages":"123-138"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73754450","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
An optimal procedure using six mathematical models to control Tribolium castaneum exposed to some essential plant oils 采用六种数学模型对蓖麻虫暴露于某些植物精油中进行了优化控制
Int. J. Comput. Biol. Drug Des. Pub Date : 2022-01-01 DOI: 10.1504/ijcbdd.2022.10049590
Elhadi E. Elamir
{"title":"An optimal procedure using six mathematical models to control Tribolium castaneum exposed to some essential plant oils","authors":"Elhadi E. Elamir","doi":"10.1504/ijcbdd.2022.10049590","DOIUrl":"https://doi.org/10.1504/ijcbdd.2022.10049590","url":null,"abstract":"","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"66 13","pages":"43-59"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91448755","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
Identification of significant descriptors for enzyme inhibition using the LASSO method and a genetic algorithm search 使用LASSO方法和遗传算法搜索识别酶抑制的重要描述符
Int. J. Comput. Biol. Drug Des. Pub Date : 2022-01-01 DOI: 10.1504/ijcbdd.2022.10052906
David Mary Rajathei, P. Subbiah, Selvaraj Samuel
{"title":"Identification of significant descriptors for enzyme inhibition using the LASSO method and a genetic algorithm search","authors":"David Mary Rajathei, P. Subbiah, Selvaraj Samuel","doi":"10.1504/ijcbdd.2022.10052906","DOIUrl":"https://doi.org/10.1504/ijcbdd.2022.10052906","url":null,"abstract":"","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"7 1","pages":"195-248"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85070159","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
In silico analysis of multiple targets (HER2 receptor and DNA) inhibition by natural isoquinoline derivatives for breast cancer treatment 天然异喹啉衍生物对乳腺癌治疗的多靶点(HER2受体和DNA)抑制作用的计算机分析
Int. J. Comput. Biol. Drug Des. Pub Date : 2022-01-01 DOI: 10.1504/ijcbdd.2022.128239
Lokesh Agarwal
{"title":"In silico analysis of multiple targets (HER2 receptor and DNA) inhibition by natural isoquinoline derivatives for breast cancer treatment","authors":"Lokesh Agarwal","doi":"10.1504/ijcbdd.2022.128239","DOIUrl":"https://doi.org/10.1504/ijcbdd.2022.128239","url":null,"abstract":"","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"13 10 1","pages":"155-171"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81251727","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
Probing into the genetic factors responsible for bladder cancer prognosis 探讨影响膀胱癌预后的遗传因素
Int. J. Comput. Biol. Drug Des. Pub Date : 2021-10-31 DOI: 10.1504/ijcbdd.2021.10042391
Kavinkumar Nirmala Karunakaran, Jeevitha priya Manoharan, S. Vidyalakshmi
{"title":"Probing into the genetic factors responsible for bladder cancer prognosis","authors":"Kavinkumar Nirmala Karunakaran, Jeevitha priya Manoharan, S. Vidyalakshmi","doi":"10.1504/ijcbdd.2021.10042391","DOIUrl":"https://doi.org/10.1504/ijcbdd.2021.10042391","url":null,"abstract":"MicroRNAs are small non coding RNAs that can act as oncogenic suppressors and activators. Our in-silico study aims to identify the key miRNAs and their associated mRNA targets involved in bladder c...","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"7 1","pages":"261-272"},"PeriodicalIF":0.0,"publicationDate":"2021-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77447120","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
Identification and optimisation of novel selective inhibitors against human regulator of G protein signalling 2 (RGS2) protein for type 2 diabetes mellitus: an in silico approach 针对2型糖尿病人G蛋白信号传导2 (RGS2)蛋白调节因子的新型选择性抑制剂的鉴定和优化:一种计算机方法
Int. J. Comput. Biol. Drug Des. Pub Date : 2021-08-11 DOI: 10.1504/ijcbdd.2021.10040273
G. Lanka, R. Bathula, M. Dasari, M. Bhargavi, S. R. Potlapally
{"title":"Identification and optimisation of novel selective inhibitors against human regulator of G protein signalling 2 (RGS2) protein for type 2 diabetes mellitus: an in silico approach","authors":"G. Lanka, R. Bathula, M. Dasari, M. Bhargavi, S. R. Potlapally","doi":"10.1504/ijcbdd.2021.10040273","DOIUrl":"https://doi.org/10.1504/ijcbdd.2021.10040273","url":null,"abstract":"Regulator of G protein signalling 2 (RGS2) protein negatively modulates GPCR signalling pathway causing type 2 diabetes and treated as drug target for the new lead identification. Since RGS2 lacks its experimental structure, the 3D structure of RGS2 protein was built by homology modelling to perform docking studies. The active site of RGS2 protein was identified and virtual screening was carried out by GLIDE docking for the hit identification. Initially, 14 hits were identified, and these hits were further optimised by AutoDock, Prime MM/GBSA, and percent human oral absorption. The druglikeness of newly identified leads was assessed through absorption, distribution, metabolism, excretion (ADME) properties. The comparative binding affinity study of current drugs of diabetes to that of newly identified leads was carried out to justify the potency of new leads against RGS2 protein. Thus, the results of the present study may afford insights into the identification of new chemical entities as potential type 2 diabetes mellitus drug candidates.","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"23 1","pages":"166-189"},"PeriodicalIF":0.0,"publicationDate":"2021-08-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84178327","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
Bottomhat kernel analysis based on different shape and size using colonies extraction for counting of bacterial colonies in petri dish 基于不同形状和大小的底部核分析,利用菌落提取对培养皿中的细菌菌落进行计数
Int. J. Comput. Biol. Drug Des. Pub Date : 2021-01-01 DOI: 10.1504/ijcbdd.2021.117185
Fitri Utaminingrum, Abdurrohman Hidayat
{"title":"Bottomhat kernel analysis based on different shape and size using colonies extraction for counting of bacterial colonies in petri dish","authors":"Fitri Utaminingrum, Abdurrohman Hidayat","doi":"10.1504/ijcbdd.2021.117185","DOIUrl":"https://doi.org/10.1504/ijcbdd.2021.117185","url":null,"abstract":"","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"14 1","pages":"202-216"},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82181139","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
A novel formulation with potential for improving osteoarthritis mediated through COX2 and MMP9 receptors 一种具有改善通过COX2和MMP9受体介导的骨关节炎潜力的新制剂
Int. J. Comput. Biol. Drug Des. Pub Date : 2021-01-01 DOI: 10.1504/ijcbdd.2021.10042388
Mohit M. Jain, G. Rai
{"title":"A novel formulation with potential for improving osteoarthritis mediated through COX2 and MMP9 receptors","authors":"Mohit M. Jain, G. Rai","doi":"10.1504/ijcbdd.2021.10042388","DOIUrl":"https://doi.org/10.1504/ijcbdd.2021.10042388","url":null,"abstract":"","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"14 1","pages":"237-250"},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91076801","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
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