PMID- 36719580
OWN - NLM
STAT- Publisher
LR  - 20240216
IS  - 1614-7499 (Electronic)
IS  - 0944-1344 (Linking)
DP  - 2023 Jan 31
TI  - Enhancing plant-derived smart nano inhibitor in targeting mammalian target of 
      rapamycin (mTOR) in breast cancer using Curcuma longa-derived compound curcumin.
LID - 10.1007/s11356-023-25375-0 [doi]
AB  - Breast cancer is a diverse female malignancy; its classification is based on 
      clinical evidence and pathological elucidation. Large public drug screening data 
      databases combined with transcriptome measures have helped develop predictive 
      computational models. Breast cancer is frequent among women worldwide. Several 
      genes increase breast cancer risk. The Mammalian Target of Rapamycin (popularly 
      known as mTOR) is a risk factor mutated in numerous breast carcinoma types. This 
      has caught the scientific community's focus, which is attempting to generate 
      creative, potent, and bio-available ligands for future anti-cancer treatments to 
      establish a practical therapeutic approach. mTOR is a protein kinase involved in 
      cell proliferation, survival, metabolism, and immune response. Activating mTOR 
      promotes cancer growth and spread. To generate a bioavailable and effective mTOR 
      inhibitor, we used computer-aided drug design to study chromones and flavonoids, 
      two naturally occurring chemicals with many biological activities. We used 
      Curcuma longaderived tiny nano-molecules, which can be coated using liposomes to 
      target mTOR to prevent breast cancer growth. The significant interactions of 
      Curcumin were anticipated using molecular docking. It had the highest binding 
      affinity at -12.26 kcal/mol. 100 nanoseconds of molecular dynamic modelling 
      confirmed Curcumin and mTOR receptor interaction. Liposomes are a form of 
      medicine carrier. To improve healthcare, more liposome-like nanostructures are 
      being made. Nanostructures' interactions with living creatures are being studied. 
      Half-life, tissue accumulation, and toxicity have been studied. Future medication 
      distribution may use nanocarriers having a liposome-like form, enabling targeted 
      nano-delivery. Curcumin's interaction with the active site increased the 
      complex's structural stability during its expansion. Our results may help future 
      investigations of Curcumin's efficacy as a possible lead treatment targeting mTOR 
      receptors in breast cancer. Using Curcumin as a potential anti-cancer drug with 
      lipid-coated nano-particles allows for tailored administration.
CI  - (c) 2023. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, 
      part of Springer Nature.
FAU - Alamri, Ali H
AU  - Alamri AH
AD  - Department of Pharmaceutics, College of Pharmacy, King Khalid University, Abha, 
      62529, Saudi Arabia.
FAU - Debnath, Sandip
AU  - Debnath S
AD  - Department of Genetics and Plant Breeding, Institute of Agriculture, 
      Visva-Bharati University, Sriniketan, West Bengal, 731236, India.
FAU - Alqahtani, Taha
AU  - Alqahtani T
AD  - Department of Pharmacology, College of Pharmacy, King Khalid University, Abha, 
      62529, Saudi Arabia.
FAU - Alqahtani, Ali
AU  - Alqahtani A
AD  - Department of Pharmacology, College of Pharmacy, King Khalid University, Abha, 
      62529, Saudi Arabia.
FAU - Alshehri, Saad Ali
AU  - Alshehri SA
AD  - Department of Pharmacognosy, College of Pharmacy, King Khalid University, Abha, 
      Saudi Arabia.
FAU - Ghosh, Arabinda
AU  - Ghosh A
AUID- ORCID: 0000-0002-3891-5949
AD  - Microbiology Division, Department of Botany, Gauhati University, Guwahati, 
      781014, Assam, India. dra.ghosh@gauhati.ac.in.
LA  - eng
PT  - Journal Article
DEP - 20230131
PL  - Germany
TA  - Environ Sci Pollut Res Int
JT  - Environmental science and pollution research international
JID - 9441769
SB  - IM
OTO - NOTNLM
OT  - Breast cancer
OT  - Curcumin
OT  - Lipid nanoparticles
OT  - Molecular docking
OT  - Molecular dynamics simulation
OT  - Nanocompounds
OT  - Signaling
OT  - Smart nanoparticle coating
OT  - mTOR (mammalian target of rapamycin)
EDAT- 2023/02/01 06:00
MHDA- 2023/02/01 06:00
CRDT- 2023/01/31 11:21
PHST- 2022/11/26 00:00 [received]
PHST- 2023/01/13 00:00 [accepted]
PHST- 2023/01/31 11:21 [entrez]
PHST- 2023/02/01 06:00 [pubmed]
PHST- 2023/02/01 06:00 [medline]
AID - 10.1007/s11356-023-25375-0 [pii]
AID - 10.1007/s11356-023-25375-0 [doi]
PST - aheadofprint
SO  - Environ Sci Pollut Res Int. 2023 Jan 31. doi: 10.1007/s11356-023-25375-0.