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}
{"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}
{"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}
{"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}
{"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}
{"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}
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}
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}
{"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}
{"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}