Design, parallel synthesis of Biginelli 1,4-dihydropyrimidines using PTSA as a catalyst, evaluation of anticancer activity and structure activity relationships via 3D QSAR studies.

Faizan, S ; Prashantha Kumar, BR ; et al.

In: Bioorganic chemistry, Jg. 117 (2021-12-01), S. 105462

academicJournal

Biginelli 1,4-dihydropyrimidines are extensively screened for their potential anticancer activity in the last decade. In this context, a series of Biginelli 1,4-dihydropyrimidines were designed and synthesised using PTSA as an efficient catalyst. The synthesised 1,4-dihydropyrimidines were screened for their anticancer activity against MCF-7 breast cancer cells by measuring cytotoxicity. The compounds exhibited activity ranging from weak to significant in terms of percentage cytotoxicity which is proportional to the anticancer activity. Amongst the screened compounds, compounds 4, 6 and 8 exhibited potential anticancer activity. Furthermore, CoMSIA studies were performed to derive the structure activity relationships in a 3D grid space by plotting experimental vs predicted cytotoxic activities. We have an opinion that, this developed model helps us in future to develop more potential 1,4-dihydropyrimidines for their cytotoxicity or anticancer activity.

Titel:	Design, parallel synthesis of Biginelli 1,4-dihydropyrimidines using PTSA as a catalyst, evaluation of anticancer activity and structure activity relationships via 3D QSAR studies.
Autor/in / Beteiligte Person:	Faizan, S ; Prashantha Kumar, BR ; Lalitha Naishima, N ; Ashok, T ; Justin, A ; Vijay Kumar, M ; Bistuvalli Chandrashekarappa, R ; Manjunathaiah Raghavendra, N ; Kabadi, P ; Adhikary, L
Zeitschrift:	Bioorganic chemistry, Jg. 117 (2021-12-01), S. 105462
Veröffentlichung:	Amsterdam : Elsevier ; <i>Original Publication</i>: New York, London, Academic Press., 2021
Medientyp:	academicJournal
ISSN:	1090-2120 (electronic)
DOI:	10.1016/j.bioorg.2021.105462
Schlagwort:	Animals Antineoplastic Agents chemical synthesis Antineoplastic Agents chemistry Cell Line Cell Proliferation drug effects Cell Survival drug effects Chlorocebus aethiops Dose-Response Relationship, Drug Drug Screening Assays, Antitumor Humans Molecular Structure Pyrimidines chemical synthesis Pyrimidines chemistry Antineoplastic Agents pharmacology Drug Design Pyrimidines pharmacology Quantitative Structure-Activity Relationship
Sonstiges:	Nachgewiesen in: MEDLINE Sprachen: English Publication Type: Journal Article; Research Support, Non-U.S. Gov't Language: English [Bioorg Chem] 2021 Dec; Vol. 117, pp. 105462. <i>Date of Electronic Publication: </i>2021 Nov 02. MeSH Terms: Drug Design* ; Quantitative Structure-Activity Relationship* ; Antineoplastic Agents / pharmacology ; Pyrimidines / pharmacology ; Animals ; Antineoplastic Agents / chemical synthesis ; Antineoplastic Agents / chemistry ; Cell Line ; Cell Proliferation / drug effects ; Cell Survival / drug effects ; Chlorocebus aethiops ; Dose-Response Relationship, Drug ; Drug Screening Assays, Antitumor ; Humans ; Molecular Structure ; Pyrimidines / chemical synthesis ; Pyrimidines / chemistry Contributed Indexing: Keywords: 3D QSAR; CoMSIA; Cytotoxicity, Biginelli 1,4-dihydropyrimidines; MCF-7 cells Substance Nomenclature: 0 (1,4-dihydropyrimidine) ; 0 (Antineoplastic Agents) ; 0 (Pyrimidines) Entry Date(s): Date Created: 20211109 Date Completed: 20220112 Latest Revision: 20220112 Update Code: 20231215

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