Synthesis, molecular docking of new amide thiazolidine derived from isoniazid and studying their biological activity against cancer cells

被引：3

作者：

Majed, Ahmed A. ^{[1
,2
]}

AL-Duhaidahawi, Dunya ^{[3
]}

Omran, Haider A. ^{[4
]}

Abbas, Sabah ^{[3
]}

Abid, Dawood S. ^{[5
]}

Hmood, Ahmed Y. ^{[6
]}

机构：

[1] Basrah Univ, Coll Educ, Dept Chem, Basrah, Iraq

[2] Minist Educ, Educ Directorate Thi Qar, Thi Qar, Iraq

[3] Univ Kufa, Coll Pharm, AL Najaf, Iraq

[4] Minist Educ, Educ Directorate Basrah, Basrah, Iraq

[5] Basrah Univ, Coll Educ Pure Sci, Dept Chem, Basrah, Iraq

[6] Univ Basrah, Marine Sci Ctr, Dept Marine Environm Chem, Basrah, Iraq

来源：

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS | 2024年 / 42卷 / 24期

关键词：

BCL2l; thiazolidine; penicillamine; isoniazid; molecular docking; 2-ARYLTHIAZOLIDINE-4-CARBOXYLIC ACID-AMIDES;

D O I：

10.1080/07391102.2023.2276313

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

BCL2, an antiapoptotic protein, is overexpressed in many cancers, making it a good cancer treatment target. In 30 years, few BCL2 targeting agents have shown clinical significance. This work designed new amide thiazolidine derived from isoniazid targeting BCL2 and tested them on cancer cell lines, for binding affinities, the novel candidates were docked to the BCL2 target receptor. IC50 of compound A8 46.67 +/- 0.9 and 57.14 +/- 0.88 mu g/ml against PC3 and HEPG2 respectively with docking score -7.6 Kcal/mol with 6GL8 make it the best compound in this series. Melting point, FT-IR, elemental microanalysis (CHN), 1HNMR, and 13CNMR confirmed chemical structures.Communicated by Ramaswamy H. Sarma

引用

页码：13485 / 13496

页数：12

共 38 条

[1] Ahmed M. A., 2021, ANN ROMANIAN SOC CEL, V25, P11935
[2] Ahmed M. A., 2023, LETT APPL NANOBIOSCI, V12, P82
[3] Ahmed M. A., 2022, BIOMEDCHEM SCI, V1, P83, DOI DOI 10.48112/BCS.V1I2.109
[4] Synthesis, characterization and biological Activityof β-Lactam and Thiazolidinone Derivatives Based on Sulfonamide
Al-Khazragie, Zainab K.
Al-Fartosy, Adnan J. M.
Al-Salami, Bushra K.
[J]. EGYPTIAN JOURNAL OF CHEMISTRY, 2022, 65 (06): : 621 - 645
[5] Naproxen Based 1,3,4-Oxadiazole Derivatives as EGFR Inhibitors: Design, Synthesis, Anticancer, and Computational Studies
Alam, Mohammad Mahboob
Nazreen, Syed
Almalki, Abdulraheem S. A.
Elhenawy, Ahmed A.
Alsenani, Nawaf, I
Elbehairi, Serag Eldin, I
Malebari, Azizah M.
Alfaifi, Mohammad Y.
Alsharif, Meshari A.
Alfaifi, Sulaiman Y. M.
[J]. PHARMACEUTICALS, 2021, 14 (09)
[6] Synthesis, Characterization and Cytotoxic Study of 2-Hydroxy Benzothiazole Incorporated 1,3,4-Oxadiazole Derivatives
Alghamdi, Afnan A.
Nazreen, Syed
[J]. EGYPTIAN JOURNAL OF CHEMISTRY, 2020, 63 (02): : 471 - 482
[7] α-Substituted phthalocyanines based on metal-induced H- or J-type aggregation for silver and palladium ions: synthesis, fluorescence, and antimicrobial and antioxidant properties
Alici, Esma H.
Bilgicli, Ahmet T.
Gunset, Armagan
Arabaci, Gulnur
Yarasir, M. Nilufer
[J]. DALTON TRANSACTIONS, 2021, 50 (09) : 3224 - 3239
[8] Thiazolidine-2,4-diones as multi-targeted scaffold in medicinal chemistry: Potential anticancer agents
Asati, Vivek
Mahapatra, Debarshi Kar
Bharti, Sanjay K.
[J]. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2014, 87 : 814 - 833
[9] Ayat H. N., 2017, J BASRAH RES SCI, V43, P10
[10] Synthesis, in Vitro, and in Cell Studies of a New Series of [Indoline-3,2′-thiazolidine]-Based p53 Modulators
Bertamino, Alessia
Soprano, Maria
Musella, Simona
Rusciano, Maria Rosaria
Sala, Marina
Vernieri, Errnelinda
Di Sarno, Veronica
Limatola, Antonio
Carotenuto, Alfonso
Cosconati, Sandro
Grieco, Paolo
Novellino, Ettore
Illario, Maddalena
Campiglia, Pietro
Gomez-Monterrey, Isabel
[J]. JOURNAL OF MEDICINAL CHEMISTRY, 2013, 56 (13) : 5407 - 5421

← 1 2 3 4 →