Density Functional Theory-Guided Photo-Triggered Anticancer Activity of Curcumin-Based Zinc(II) Complexes.

Humans Curcumin / pharmacology Density Functional Theory Zinc / chemistry Caspase 9 / metabolism Molecular Docking Simulation Photosensitizing Agents / pharmacology Coordination Complexes / chemistry Antineoplastic Agents / chemistry Photochemotherapy

Journal

The journal of physical chemistry. B
ISSN: 1520-5207
Titre abrégé: J Phys Chem B
Pays: United States
ID NLM: 101157530

Informations de publication

Date de publication:
07 Dec 2023
Historique:
medline: 11 12 2023
pubmed: 21 11 2023
entrez: 21 11 2023
Statut: ppublish

Résumé

Photodynamic therapy (PDT) has evolved as a new therapeutic modality for cancer treatment with fewer side effects and drug resistance. Curcumin exhibits PDT activity, but its low bioavailability restricts its clinical application. Here, the bioavailability of curcumin was increased by its complex formation with the Zn(II) center. For a structure-activity relationship study, Zn(II)-based complexes (

Identifiants

DOI: 10.1021/acs.jpcb.3c02382 PMID: 37988143
pubmed: 37988143
doi: 10.1021/acs.jpcb.3c02382
doi:

Substances chimiques

Curcumin IT942ZTH98
Zinc J41CSQ7QDS
Caspase 9 EC 3.4.22.-
Photosensitizing Agents 0
Coordination Complexes 0
Antineoplastic Agents 0

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

10266-10278

Auteurs

Rajesh Kushwaha (R)

Department of Chemistry, Indian Institute of Technology (BHU), Varanasi, Uttar Pradesh 221005, India (Email: samya.chy@itbhu.ac.in).

Virendra Singh (V)

Department of Zoology, Institute of Science, Banaras Hindu University, Varanasi, Uttar Pradesh 221005, India (Email: biplob@bhu.ac.in).

Silda Peters (S)

Department of Chemistry, SRM Institute of Science and Technology, Kattankulathur, Tamil Nadu 603203, India (Email: tumpas@srmist.edu.in).

Ashish K Yadav (AK)

Department of Chemistry, Indian Institute of Technology (BHU), Varanasi, Uttar Pradesh 221005, India (Email: samya.chy@itbhu.ac.in).

Dependu Dolui (D)

Department of Chemistry, Indian Institute of Technology Bombay, Powai, Maharashtra 400076, India.

Sukanta Saha (S)

Department of Chemistry, Indian Institute of Technology Bombay, Powai, Maharashtra 400076, India.

Sujit Sarkar (S)

Prescience Insilico Pvt. Ltd., Bengaluru, Karnataka 560066, India.

Arnab Dutta (A)

Department of Chemistry, Indian Institute of Technology Bombay, Powai, Maharashtra 400076, India.
ORCID: 0000-0002-9998-6329

Biplob Koch (B)

Department of Zoology, Institute of Science, Banaras Hindu University, Varanasi, Uttar Pradesh 221005, India (Email: biplob@bhu.ac.in).
ORCID: 0000-0001-9093-7793

Tumpa Sadhukhan (T)

Department of Chemistry, SRM Institute of Science and Technology, Kattankulathur, Tamil Nadu 603203, India (Email: tumpas@srmist.edu.in).
ORCID: 0000-0003-1995-7286

Samya Banerjee (S)

Department of Chemistry, Indian Institute of Technology (BHU), Varanasi, Uttar Pradesh 221005, India (Email: samya.chy@itbhu.ac.in).
ORCID: 0000-0003-4393-4447

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Classifications MeSH

questionsmedicales.fr › Eucaryotes › Animaux › Chordés › Vertébrés › Mammifères › Eutheria › Primates › Haplorhini › Catarrhini › Hominidae › Humains › Density Functional Theory-Guided...
questionsmedicales.fr › Composés chimiques organiques › Hydrocarbures › Hydrocarbures cycliques › Hydrocarbures aromatiques › Diarylheptanoïdes › Curcumine › Density Functional Theory-Guided...
questionsmedicales.fr › Disciplines des sciences naturelles › Physique › Physique nucléaire › Théorie quantique › Théorie de la fonctionnelle de la densité › Density Functional Theory-Guided...
questionsmedicales.fr › Produits chimiques inorganiques › Métaux › Métaux lourds › Zinc › Density Functional Theory-Guided...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines et peptides de signalisation intracellulaire › Protéines régulatrices de l'apoptose › Caspases › Caspases initiatrices › Caspase-9 › Density Functional Theory-Guided...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de docking moléculaire › Density Functional Theory-Guided...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Utilisations thérapeutiques › Radiosensibilisants › Photosensibilisants › Density Functional Theory-Guided...
questionsmedicales.fr › Composés chimiques organiques › Complexes de coordination › Density Functional Theory-Guided...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Utilisations thérapeutiques › Antinéoplasiques › Density Functional Theory-Guided...
questionsmedicales.fr › Thérapeutique › Photothérapie › Photothérapie dynamique › Density Functional Theory-Guided...