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In silico Methods for Design of Kinase Inhibitors as Anticancer Drugs
dc.creator | Gagić, Žarko | |
dc.creator | Ružić, Dušan | |
dc.creator | Đoković, Nemanja | |
dc.creator | Đikić, Teodora | |
dc.creator | Nikolić, Katarina | |
dc.date.accessioned | 2020-02-12T11:57:05Z | |
dc.date.available | 2020-02-12T11:57:05Z | |
dc.date.issued | 2020 | |
dc.identifier.issn | 2296-2646 | |
dc.identifier.uri | https://farfar.pharmacy.bg.ac.rs/handle/123456789/3502 | |
dc.description.abstract | Rational drug design implies usage of molecular modeling techniques such as pharmacophore modeling, molecular dynamics, virtual screening, and molecular docking to explain the activity of biomolecules, define molecular determinants for interaction with the drug target, and design more efficient drug candidates. Kinases play an essential role in cell function and therefore are extensively studied targets in drug design and discovery. Kinase inhibitors are clinically very important and widely used antineoplastic drugs. In this review, computational methods used in rational drug design of kinase inhibitors are discussed and compared, considering some representative case studies. | en |
dc.publisher | Frontiers Media S.A. | |
dc.relation | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172033/RS// | |
dc.rights | openAccess | |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
dc.source | Frontiers in Chemistry | |
dc.subject | drug discovery | |
dc.subject | kinase inhibitors | |
dc.subject | molecular modeling | |
dc.subject | pharmacophore | |
dc.subject | rational drug design | |
dc.title | In silico Methods for Design of Kinase Inhibitors as Anticancer Drugs | en |
dc.type | article | |
dc.rights.license | BY | |
dcterms.abstract | Ђикић, Теодора; Николић, Катарина; Гагић, Жарко; Ружић, Душан; Ђоковић, Немања; Ин силицо Метходс фор Десигн оф Кинасе Инхибиторс ас Aнтицанцер Другс; | |
dc.citation.volume | 7 | |
dc.citation.rank | M21 | |
dc.identifier.wos | 000615281300001 | |
dc.identifier.doi | 10.3389/fchem.2019.00873 | |
dc.identifier.scopus | 2-s2.0-85078245053 | |
dc.identifier.fulltext | https://farfar.pharmacy.bg.ac.rs/bitstream/id/7486/In_silico_Method_pub_2020.pdf | |
dc.type.version | publishedVersion |