Perspectives on Computer Aided Drug Discovery

Kevser Kübra Kırboğa; Ecir Küçüksille

doi:10.55007/dufed.1103457

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Perspectives on Computer Aided Drug Discovery

Öz

The drug development and discovery process are challenging, take 15 to 20 years, and require approximately 1.5-2 billion dollars, from the critical selection of the target molecule to post-clinical market application. Several computational drug design methods identify and optimize target biologically lead compounds. Given the complexity and cost of the drug discovery process in recent years, computer-assisted drug discovery (CADD) has spread over a broad spectrum. CADD methods support the discovery of target molecules, optimization of small target molecules, analysis, and development processes faster and less costly. These methods can be classified into structure-based (SBDD) and ligand-based (LBDD). SBDD begins the development process by focusing on the knowledge of the three-dimensional structure of the biological target. Finally, this review article provides an overview of the details, purposes, uses in developing drugs, general workflows, tools used, limitations, and future of CADD methods, including the SBDD and LBDD processes that have become an integral part of pharmaceutical companies and academic research.

Anahtar Kelimeler

Computer-aided drug design, Structure-activity relationship, Cheminformatics, Molecular modeling, Virtual screening

Kaynakça

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Ayrıntılar

Birincil Dil

İngilizce

Konular

Yazılım Mühendisliği (Diğer)

Bölüm

Derleme

Yazarlar

Kevser Kübra Kırboğa ^*
0000-0002-2917-8860
Türkiye

Ecir Küçüksille
0000-0002-3293-9878
Türkiye

Yayımlanma Tarihi

30 Aralık 2022

Gönderilme Tarihi

14 Nisan 2022

Kabul Tarihi

15 Eylül 2022

Yayımlandığı Sayı

Yıl 2022 Cilt: 11 Sayı: 2

DOI

https://doi.org/10.55007/dufed.1103457

IZ

https://izlik.org/JA75AN93FU

APA

Kırboğa, K. K., & Küçüksille, E. (2022). Perspectives on Computer Aided Drug Discovery. Dicle Üniversitesi Fen Bilimleri Enstitüsü Dergisi, 11(2), 405-426. https://doi.org/10.55007/dufed.1103457

AMA

1.Kırboğa KK, Küçüksille E. Perspectives on Computer Aided Drug Discovery. DÜFED. 2022;11(2):405-426. doi:10.55007/dufed.1103457

Chicago

Kırboğa, Kevser Kübra, ve Ecir Küçüksille. 2022. “Perspectives on Computer Aided Drug Discovery”. Dicle Üniversitesi Fen Bilimleri Enstitüsü Dergisi 11 (2): 405-26. https://doi.org/10.55007/dufed.1103457.

EndNote

Kırboğa KK, Küçüksille E (01 Aralık 2022) Perspectives on Computer Aided Drug Discovery. Dicle Üniversitesi Fen Bilimleri Enstitüsü Dergisi 11 2 405–426.

IEEE

[1]K. K. Kırboğa ve E. Küçüksille, “Perspectives on Computer Aided Drug Discovery”, DÜFED, c. 11, sy 2, ss. 405–426, Ara. 2022, doi: 10.55007/dufed.1103457.

ISNAD

Kırboğa, Kevser Kübra - Küçüksille, Ecir. “Perspectives on Computer Aided Drug Discovery”. Dicle Üniversitesi Fen Bilimleri Enstitüsü Dergisi 11/2 (01 Aralık 2022): 405-426. https://doi.org/10.55007/dufed.1103457.

JAMA

1.Kırboğa KK, Küçüksille E. Perspectives on Computer Aided Drug Discovery. DÜFED. 2022;11:405–426.

MLA

Kırboğa, Kevser Kübra, ve Ecir Küçüksille. “Perspectives on Computer Aided Drug Discovery”. Dicle Üniversitesi Fen Bilimleri Enstitüsü Dergisi, c. 11, sy 2, Aralık 2022, ss. 405-26, doi:10.55007/dufed.1103457.

Vancouver

1.Kevser Kübra Kırboğa, Ecir Küçüksille. Perspectives on Computer Aided Drug Discovery. DÜFED. 01 Aralık 2022;11(2):405-26. doi:10.55007/dufed.1103457

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Perspectives on Computer Aided Drug Discovery

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Anahtar Kelimeler

Perspectives on Computer Aided Drug Discovery

Öz

Anahtar Kelimeler

Kaynakça

Ayrıntılar

Birincil Dil

Konular

Bölüm

Yazarlar

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