Design, synthesis, molecular docking and


Journal

RSC advances
ISSN: 2046-2069
Titre abrégé: RSC Adv
Pays: England
ID NLM: 101581657

Informations de publication

Date de publication:
26 Jul 2024
Historique:
received: 18 04 2024
accepted: 13 07 2024
medline: 30 7 2024
pubmed: 30 7 2024
entrez: 30 7 2024
Statut: epublish

Résumé

In both premenopausal and postmenopausal women, oestrogens play a critical role in the development of breast cancer. Aromatase is an enzyme that catalyses the final step in the biosynthesis of estrogen and has emerged as a promising target for therapeutic intervention. This study aimed to design and evaluate novel 1-(4-(benzamido)phenyl)-3-arylurea derivatives as potential aromatase inhibitors. Through molecular docking, promising leads were identified and synthesized. Spectroscopic techniques confirmed their structural integrity. Cytotoxicity against various cancer cell lines was assessed using MTT assay. Docking investigations against the aromatase enzyme (3s7s) elucidated binding interactions and energies. Compound 6g, exhibiting a binding energy of -8.6 kcal mol

Identifiants

pubmed: 39077323
doi: 10.1039/d4ra02882a
pii: d4ra02882a
pmc: PMC11284930
doi:

Types de publication

Journal Article

Langues

eng

Pagination

23785-23795

Informations de copyright

This journal is © The Royal Society of Chemistry.

Déclaration de conflit d'intérêts

The authors declare no conflicts of interest.

Auteurs

Prafulla Sabale (P)

Department of Pharmaceutical Sciences, Rashtrasant Tukadoji Maharaj Nagpur University Mahatma Jyotiba Fuley Shaikshanik Parisar Nagpur-440033 India prafullasable@yahoo.com nusratsayyad11@gmail.com +919158537050.

Nusrat Sayyad (N)

Department of Pharmaceutical Sciences, Rashtrasant Tukadoji Maharaj Nagpur University Mahatma Jyotiba Fuley Shaikshanik Parisar Nagpur-440033 India prafullasable@yahoo.com nusratsayyad11@gmail.com +919158537050.

Abuzer Ali (A)

Department of Pharmacognosy, College of Pharmacy, Taif University P.O. Box 11099 Taif 21944 Saudi Arabia abuali@tu.edu.sa.

Vidya Sabale (V)

Department of Pharmaceutics, Dadasaheb Balpande College of Pharmacy, Rashtrasant Tukadoji Maharaj Nagpur University Nagpur Maharashtra 440037 India vidyasabale@gmail.com.

Mohammed Kaleem (M)

Department of Pharmacology, Dadasaheb Balpande College of Pharmacy, Rashtrasant Tukadoji Maharaj Nagpur University Nagpur Maharashtra 440037 India kaleemmubin88@gmail.com.

Turky Omar Asar (TO)

Department of Biology, College of Science and Arts at Alkamil, University of Jeddah Saudi Arabia tasar@uj.edu.sa.

Amena Ali (A)

Department of Pharmaceutical Chemistry, College of Pharmacy, Taif University P.O. Box 11099 Taif 21944 Saudi Arabia amrathore@tu.edu.sa.

Md Ali Mujtaba (MA)

Department of Pharmaceutics, Faculty of Pharmacy, Northern Border University Arar Saudi Arabia M.Mujtaba@nbu.edu.sa.

Md Khalid Anwer (MK)

Department of Pharmaceutics, College of Pharmacy, Prince Sattam Bin Abdulaziz University P.O. Box 173 Al-Kharj 11942 Saudi Arabia m.anwer@psau.edu.sa.

Classifications MeSH