Synthesis and molecular docking of hybrids ionic azole Schiff bases as novel CDK1 inhibitors and anti-breast cancer agents: In vitro and in vivo study

Serag, Waleed M.; Zahran, Faten; Abdelghany, Yasmin M.; Elshaarawy, Reda F.M.; Abdelhamid, Moustafa Salaheldin

doi:10.1016/j.molstruc.2021.131041

Cited by 7 publications

(4 citation statements)

References 56 publications

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“…In conclusion, they predicted that natural plant herbs, can be used in the treatment of oral cancer, and in silico methods were used to confirm the results of network pharmacology (Yu et al, 2022). Serag et al (2021) proposed that hybrid ionic vanillyl-azole-Schiff bases (IVASBs) can be synthesized in three new multifunctional bioactive IVASBs (7, 8, and 9) (Fig. 3).…”

Section: Cell Cycle Cyclin-dependent Kinasesmentioning

confidence: 96%

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A comprehensive analysis of the role of molecular docking in the development of anticancer agents against the cell cycle CDK enzyme

SOLANKI¹,

RANA²,

Jha³

et al. 2023

Biocell

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Cancer is considered one of the most lethal diseases responsible for causing deaths worldwide. Although there have been many breakthroughs in anticancer development, cancer remains the major cause of death globally. In this regard, targeting cancer-causing enzymes is one of the efficient therapeutic strategies. Biological functions like cell cycle, transcription, metabolism, apoptosis, and other depend primarily on cyclin-dependent kinases (CDKs). These enzymes help in the replication of DNA in the normal cell cycle process, and deregulation in the functioning of any CDK can cause abnormal cell growth, which leads to cancer. This review is focused on anticancer drug discovery against cell cycle CDK enzyme using an in silico technique, i.e., molecular docking studies. Molecular docking helps in deciphering the key interactions formed within the inhibitor and the respective enzyme. This concise study provides an overview of the most current in silico research advancements made in the field of anticancer drug discovery. The findings presented in the current review article can help in understanding the nature of inhibitor-target interactions and provide information on the structural and molecular prerequisites for the inhibition of cell cycle CDKs.

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Section: Cell Cycle Cyclin-dependent Kinasesmentioning

confidence: 96%

“…Also, the binding energy values of 7 (−3.52 kcal/mol) and 9 (−3.43 kcal/mol) make them the most potent anti-breast cancer agents. Further, they conducted flow-cytometric analysis and in vivo studies and concluded that 9 can be used as a starting scaffold for the treatment of breast cancer (Serag et al, 2021).…”

Section: Cell Cycle Cyclin-dependent Kinasesmentioning

confidence: 99%

A comprehensive analysis of the role of molecular docking in the development of anticancer agents against the cell cycle CDK enzyme

SOLANKI¹,

RANA²,

Jha³

et al. 2023

Biocell

View full text Add to dashboard Cite

show abstract

“…In this context, recently, more attention has been driven to biomacromolecules functionalization such as CS or any other derivative thereof with naturally occurring flavonoids such as gallic acid or caffeic acid, or catechins 16 , 20 . Because of the distinct properties of CS and GA, as well as our ongoing pursuit of new highly effective chemotherapeutic candidates 21 , 22 , 23 . The present study aimed to investigate the biomedical and renoprotective of gallic acid-grafted O-carboxymethyl chitosan, additionally, to study their anti-inflammatory and antioxidant activity against the CDDP by-products in vivo.…”

Section: Introductionmentioning

confidence: 99%

The reversible and modulation role of water-soluble gallic acid-carboxymethyl chitosan conjugates against the induced nephrotoxicity with cisplatin

Hafez

El-Khayat²,

Kotb

et al. 2022

Preprint

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The toxicity of cisplatin (CDDP) toward the renal tubules and its severe effects on the proximal tubules limits its futher use for cancer therapy. The current study was undertaken to evaluate the protective effects of gallic acid-grafted O-carboxymethyl chitosan (GA@CMLMWC) against nephrotoxicity induced by CDDP in rats. Renal injury was assessed in the GA@CMLMWC/CDDP-treated rats using kidney injury molecule-1 (KIM-1). Moreover, the levels of reduced glutathione (GSH), malondialdehyde (MDA), and nitric oxide (NO) were measured. The comet assay was performed to measure the DNA damage. The renoprotective activity of GA@CMLMWC was supported by histo- and immuno-pathological studies of the kidney. GA@CMLMWC significantly normalized the increases in kidney homogenate of KIM-1, MDA, and NO-induced by CDDP and significantly increased GSH as compared with the CDDP group. GA@CMLMWC also significantly protects rat kidneys from CDDP-induced histo- and immuno-pathological changes. Both biochemical findings and histo- and immuno-pathological evidence showed the renoprotective potential of GA@CMLMWC against CDDP-induced oxidative stress, inflammation, and renal dysfunction in rats. In conclusion, GA@CMLMWC has been shown to mitigate the nephrotoxicity impact of CDDP in cancer therapy.

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“…In this context, recently, more attention has been driven to biomacromolecules functionalization such as CS or any other derivative thereof with naturally occurring flavonoids such as gallic acid or caffeic acid, or catechins 16 , 20 . Because of the distinct properties of CS and GA, as well as our ongoing pursuit of new highly effective chemotherapeutic candidates 21 – 23 . The present study aimed to investigate the biomedical and renoprotective of gallic acid-grafted O-carboxymethyl chitosan, additionally, to study their anti-inflammatory and antioxidant activity against the CDDP by-products in vivo .…”

Section: Introductionmentioning

confidence: 99%

The diminution and modulation role of water-soluble gallic acid-carboxymethyl chitosan conjugates against the induced nephrotoxicity with cisplatin

Hafez

Kotb

El-Khayat

et al. 2022

Sci Rep

Self Cite

View full text Add to dashboard Cite

The toxicity of cisplatin (CDDP) toward the renal tubules and its severe effects on the proximal tubules limits its further use in cancer therapy. The current study was undertaken to evaluate the protective effects of gallic acid-grafted O-carboxymethyl chitosan (GA@CMCS) against nephrotoxicity induced by CDDP in rats. Renal injury was assessed in the GA@CMCS/CDDP-treated rats using kidney injury molecule-1 (KIM-1). Moreover, the levels of reduced glutathione (GSH), malondialdehyde (MDA), and nitric oxide (NO) were measured. The comet assay was performed to measure the DNA damage. The renoprotective activity of GA@CMCS was supported by histo- and immuno-pathological studies of the kidney. GA@CMCS significantly normalized the increases in kidney homogenate of KIM-1, MDA, and NO-induced by CDDP and significantly increased GSH as compared with the CDDP group. GA@CMCS also significantly protects rat kidneys from CDDP-induced histo- and immuno-pathological changes. Both biochemical findings and histo- and immuno-pathological evidence showed the renoprotective potential of GA@CMCS against CDDP-induced oxidative stress, inflammation, and renal dysfunction in rats. In conclusion, GA@CMCS has been shown to mitigate the nephrotoxicity impact of CDDP in cancer therapy.

show abstract

Synthesis and molecular docking of hybrids ionic azole Schiff bases as novel CDK1 inhibitors and anti-breast cancer agents: In vitro and in vivo study

Cited by 7 publications

References 56 publications

A comprehensive analysis of the role of molecular docking in the development of anticancer agents against the cell cycle CDK enzyme

A comprehensive analysis of the role of molecular docking in the development of anticancer agents against the cell cycle CDK enzyme

The reversible and modulation role of water-soluble gallic acid-carboxymethyl chitosan conjugates against the induced nephrotoxicity with cisplatin

The diminution and modulation role of water-soluble gallic acid-carboxymethyl chitosan conjugates against the induced nephrotoxicity with cisplatin

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