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In silico Methods for Design of Kinase Inhibitors as Anticancer Drugs

Thumbnail
2020
In_silico_Method_pub_2020.pdf (3.561Mb)
Аутори
Gagić, Žarko
Ružić, Dušan
Đoković, Nemanja
Đikić, Teodora
Nikolić, Katarina
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документу
Апстракт
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.
Кључне речи:
drug discovery / kinase inhibitors / molecular modeling / pharmacophore / rational drug design
Извор:
Frontiers in Chemistry, 2020, 7
Издавач:
  • Frontiers Media S.A.
Финансирање / пројекти:
  • Синтеза, квантитативни однос између структуре и дејства, физичко-хемијска карактеризација и анализа фармаколошки активних супстанци (RS-172033)

DOI: 10.3389/fchem.2019.00873

ISSN: 2296-2646

WoS: 000615281300001

Scopus: 2-s2.0-85078245053
[ Google Scholar ]
53
22
URI
https://farfar.pharmacy.bg.ac.rs/handle/123456789/3502
Колекције
  • Radovi istraživača / Researchers’ publications
Институција/група
Pharmacy
TY  - JOUR
AU  - Gagić, Žarko
AU  - Ružić, Dušan
AU  - Đoković, Nemanja
AU  - Đikić, Teodora
AU  - Nikolić, Katarina
PY  - 2020
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3502
AB  - 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.
PB  - Frontiers Media S.A.
T2  - Frontiers in Chemistry
T1  - In silico Methods for Design of Kinase Inhibitors as Anticancer Drugs
VL  - 7
DO  - 10.3389/fchem.2019.00873
ER  - 
@article{
author = "Gagić, Žarko and Ružić, Dušan and Đoković, Nemanja and Đikić, Teodora and Nikolić, Katarina",
year = "2020",
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.",
publisher = "Frontiers Media S.A.",
journal = "Frontiers in Chemistry",
title = "In silico Methods for Design of Kinase Inhibitors as Anticancer Drugs",
volume = "7",
doi = "10.3389/fchem.2019.00873"
}
Gagić, Ž., Ružić, D., Đoković, N., Đikić, T.,& Nikolić, K.. (2020). In silico Methods for Design of Kinase Inhibitors as Anticancer Drugs. in Frontiers in Chemistry
Frontiers Media S.A.., 7.
https://doi.org/10.3389/fchem.2019.00873
Gagić Ž, Ružić D, Đoković N, Đikić T, Nikolić K. In silico Methods for Design of Kinase Inhibitors as Anticancer Drugs. in Frontiers in Chemistry. 2020;7.
doi:10.3389/fchem.2019.00873 .
Gagić, Žarko, Ružić, Dušan, Đoković, Nemanja, Đikić, Teodora, Nikolić, Katarina, "In silico Methods for Design of Kinase Inhibitors as Anticancer Drugs" in Frontiers in Chemistry, 7 (2020),
https://doi.org/10.3389/fchem.2019.00873 . .

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