{"title":"Random forest with SMOTE and ensemble feature selection for cervical cancer diagnosis","authors":"Anjali Kuruvilla, B. Jayanthi","doi":"10.1504/ijcbdd.2023.10053107","DOIUrl":"https://doi.org/10.1504/ijcbdd.2023.10053107","url":null,"abstract":"","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"12 1","pages":"289-315"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72708762","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":"Generation of 2D-QSAR and pharmacophore models for fishing better anti-leishmanial therapeutics","authors":"Clayton Fernando Rencilin, J. C. Rosy, K. Sundar","doi":"10.1504/ijcbdd.2023.10055475","DOIUrl":"https://doi.org/10.1504/ijcbdd.2023.10055475","url":null,"abstract":"","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"3 1","pages":"316-335"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79702785","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 review on speech organ diseases and cancer detection using artificial intelligence","authors":"M. Swathi, Rajeshkannan Regunathan, S. Nagarajan","doi":"10.1504/ijcbdd.2023.10054029","DOIUrl":"https://doi.org/10.1504/ijcbdd.2023.10054029","url":null,"abstract":"","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"27 1","pages":"336-356"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74855353","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}
Pawan Gupta, Swati Gupta, S. Sinha, S. Sundaram, Vishnu Sharma, A. Munshi
{"title":"In silico phytochemical repurposing of natural molecules as entry inhibitors against RBD of the spike protein of SARS-CoV-2 using molecular docking studies","authors":"Pawan Gupta, Swati Gupta, S. Sinha, S. Sundaram, Vishnu Sharma, A. Munshi","doi":"10.1504/ijcbdd.2022.10053912","DOIUrl":"https://doi.org/10.1504/ijcbdd.2022.10053912","url":null,"abstract":"The receptor binding domain (RBD) of Spike-protein (S-protein) is responsible for virus entry via interaction with host protein ACE2 (angiotensin-converting enzyme 2), present on the cell surface of humans. Therefore, S-protein is an important target to block the entry of the SARS-CoV-2 into the cell for further growth. In the present study, phytochemical repurposing of natural molecules: narirutin, naringin, neohesperidin and hesperidin were performed against the RBD S-protein/ACE2 interface as well as the RBD of the S-protein using molecular docking. These natural molecules were found to have structural similarity to each other and had binding potential against the viral infections. It is first time reported here that the naringin and narirutin are having binding potential against both RBD S-protein/ACE2 interface and active site of RBD of S-protein using binding mode analysis. Hence, this study will open avenues for multitargeting similar natural molecules binding against the SARS-CoV-2 proteins as all reports are made in this single study.","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"53 1","pages":"267-288"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78786771","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":"Exploring the functions and interactions of undeciphered proteins from Shigella flexneri","authors":"S. Mukhopadhyay, S. Ganguli, S. Chakrabarti","doi":"10.1504/ijcbdd.2022.10049591","DOIUrl":"https://doi.org/10.1504/ijcbdd.2022.10049591","url":null,"abstract":"","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"16 1","pages":"60-75"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78410142","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":"Restoration of dental radiographs corrupted by quantum noise via a noise-adaptive sub-global weighted sum of radiometrically similar pixels","authors":"Manoj T. Joy, B. Shan, Geevarghese Titus","doi":"10.1504/ijcbdd.2023.10052868","DOIUrl":"https://doi.org/10.1504/ijcbdd.2023.10052868","url":null,"abstract":"","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"3 1","pages":"249-266"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76239504","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}
A. Bouayyadi, Aissam El Aliani, Y. Kasmi, A. Moussaif, A. Mesfioui, E. Essassi, M. Mzibri
{"title":"Molecular docking of an antianxiety drug molecule \"3-[2-(1H-Benzimidazol-2-ylsulfan-yl) eth-yl]-1, 3-oxazolidin-2-one\"","authors":"A. Bouayyadi, Aissam El Aliani, Y. Kasmi, A. Moussaif, A. Mesfioui, E. Essassi, M. Mzibri","doi":"10.1504/ijcbdd.2022.10049589","DOIUrl":"https://doi.org/10.1504/ijcbdd.2022.10049589","url":null,"abstract":"","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"8 1","pages":"30-42"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90169684","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}
Ashik Chhetri, Moloy Roy, Aditi Gangopadhyay, A. Saha, Puja Mishra, A. Halder, S. Basak
{"title":"Modelling and molecular dynamics simulation of novel anticancer ligand for restructuring mutant P53 into wild type","authors":"Ashik Chhetri, Moloy Roy, Aditi Gangopadhyay, A. Saha, Puja Mishra, A. Halder, S. Basak","doi":"10.1504/ijcbdd.2022.10051973","DOIUrl":"https://doi.org/10.1504/ijcbdd.2022.10051973","url":null,"abstract":"","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"24 1","pages":"77-95"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76071711","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 computational approach against dengue virus type 2 nonstructural protein (NS1) form using hepatoprotective plant secondary metabolites","authors":"K. Agrawal, Y. Murti","doi":"10.1504/ijcbdd.2022.10051971","DOIUrl":"https://doi.org/10.1504/ijcbdd.2022.10051971","url":null,"abstract":"","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"26 1","pages":"96-122"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86312236","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 geometry based approach to compare five metal binding sites on biomolecular structures","authors":"Swati Adhikari, Parthajit Roy","doi":"10.1504/ijcbdd.2022.10049588","DOIUrl":"https://doi.org/10.1504/ijcbdd.2022.10049588","url":null,"abstract":"","PeriodicalId":13612,"journal":{"name":"Int. J. Comput. Biol. Drug Des.","volume":"137 1","pages":"1-29"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74694477","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}