A computational investigation of thymidylate synthase inhibitors through a combined approach of 3D-QSAR and pharmacophore modelling.

TS inhibitors Thymidylate synthase atom-based QSAR field-based QSAR pharmacophore hypothesis generation

Journal

Journal of biomolecular structure & dynamics
ISSN: 1538-0254
Titre abrégé: J Biomol Struct Dyn
Pays: England
ID NLM: 8404176

Informations de publication

Date de publication:
23 Oct 2023
Historique:
medline: 23 10 2023
pubmed: 23 10 2023
entrez: 23 10 2023
Statut: aheadofprint

Résumé

Thymidylate synthase (TS) is a crucial target of cancer drug discovery and is mainly involved in the

Identifiants

DOI: 10.1080/07391102.2023.2270752 PMID: 37870113
pubmed: 37870113
doi: 10.1080/07391102.2023.2270752
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

1-20

Auteurs

Sonu Benny (S)

Department of Pharmaceutical Chemistry, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, Kerala, India.

Prayaga Rajappan Krishnendu (P)

Department of Pharmaceutical Chemistry, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, Kerala, India.

Sunil Kumar (S)

Department of Pharmaceutical Chemistry, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, Kerala, India.

Vaishnav Bhaskar (V)

Department of Pharmaceutical Chemistry, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, Kerala, India.

Deepthi S Manisha (DS)

Department of Pharmaceutical Chemistry, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, Kerala, India.

Mohamed A Abdelgawad (MA)

Department of pharmaceutical chemistry, College of Pharmacy, Jouf University, Sakaka, Saudi Arabia.
Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Suef, Egypt.

Mohammed M Ghoneim (MM)

Department of Pharmacy Practice, College of Pharmacy, AlMaarefa University, Saudi Arabia.

Ibrahim A Naguib (IA)

Department of Pharmaceutical Chemistry, College of Pharmacy, Taif University, Taif, Saudi Arabia.

Leena K Pappachen (LK)

Department of Pharmaceutical Chemistry, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, Kerala, India.

Subin Mary Zachariah (S)

Department of Pharmaceutical Chemistry, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, Kerala, India.

Bijo Mathew (B)

Department of Pharmaceutical Chemistry, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, Kerala, India.

Aneesh Tp (A)

Department of Pharmaceutical Chemistry, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, Kerala, India.

Classifications MeSH