PMID- 32727785
OWN - NLM
STAT- MEDLINE
DCOM- 20200806
LR  - 20200806
IS  - 1791-7530 (Electronic)
IS  - 0250-7005 (Linking)
VI  - 40
IP  - 8
DP  - 2020 Aug
TI  - Exploring Flavonoids for Potential Inhibitors of a Cancer Signaling Protein PI3Kgamma 
      Kinase Using Computational Methods.
PG  - 4547-4556
LID - 10.21873/anticanres.14460 [doi]
AB  - BACKGROUND/AIM: Phosphatidyl-inositol-3-kinase (PI3K), a cancer therapeutic 
      target, has been exploited for cancer therapy. The natural compounds flavonoids 
      have increasingly been shown to possess anticancer activity. The current study 
      aimed to explore all known flavonoids for their ability to inhibit PI3Kgamma. 
      MATERIALS AND METHODS: Virtual screening of flavonoids using molecular docking to 
      the ATP binding site of PI3Kgamma was performed. The top 10 scoring flavonoids were 
      selected for pose analysis and binding strength scores. RESULTS: Molecular 
      docking revealed that the 10 selected flavonoids might inhibit PI3Kgamma kinase 
      activity. Literature search did not identify studies reporting a bioassay 
      activity for any of these compounds. CONCLUSION: All 10 selected flavonoids are 
      potential PI3Kgamma kinase inhibitors and anticancer agents. Interestingly, one of 
      the 10 least scoring flavonoids has been reported to be inactive, as expected, 
      and thus validating the accuracy of the results.
CI  - Copyright(c) 2020, International Institute of Anticancer Research (Dr. George J. 
      Delinasios), All rights reserved.
FAU - Rehan, Mohd
AU  - Rehan M
AD  - King Fahd Medical Research Center, King Abdulaziz University, Jeddah, Kingdom of 
      Saudi Arabia mrehan786@gmail.com.
AD  - Department of Medical Laboratory Technology, Faculty of Applied Medical Sciences, 
      King Abdulaziz University, Jeddah, Kingdom of Saudi Arabia.
FAU - Mahmoud, Maged Mostafa
AU  - Mahmoud MM
AD  - King Fahd Medical Research Center, King Abdulaziz University, Jeddah, Kingdom of 
      Saudi Arabia.
AD  - Department of Medical Laboratory Technology, Faculty of Applied Medical Sciences, 
      King Abdulaziz University, Jeddah, Kingdom of Saudi Arabia.
AD  - Molecular Genetics and Enzymology Department, Human Genetics Division and Genome 
      Research, National Research Centre, Cairo, Egypt.
FAU - Tabrez, Shams
AU  - Tabrez S
AD  - King Fahd Medical Research Center, King Abdulaziz University, Jeddah, Kingdom of 
      Saudi Arabia.
AD  - Department of Medical Laboratory Technology, Faculty of Applied Medical Sciences, 
      King Abdulaziz University, Jeddah, Kingdom of Saudi Arabia.
FAU - Hassan, Hani Mutlak A
AU  - Hassan HMA
AD  - King Fahd Medical Research Center, King Abdulaziz University, Jeddah, Kingdom of 
      Saudi Arabia.
AD  - Department of Medical Laboratory Technology, Faculty of Applied Medical Sciences, 
      King Abdulaziz University, Jeddah, Kingdom of Saudi Arabia.
FAU - Ashraf, Ghulam Md
AU  - Ashraf GM
AD  - King Fahd Medical Research Center, King Abdulaziz University, Jeddah, Kingdom of 
      Saudi Arabia.
AD  - Department of Medical Laboratory Technology, Faculty of Applied Medical Sciences, 
      King Abdulaziz University, Jeddah, Kingdom of Saudi Arabia.
LA  - eng
PT  - Journal Article
PL  - Greece
TA  - Anticancer Res
JT  - Anticancer research
JID - 8102988
RN  - 0 (Flavonoids)
RN  - EC 2.7.1.137 (Class Ib Phosphatidylinositol 3-Kinase)
RN  - EC 2.7.1.137 (PIK3CG protein, human)
SB  - IM
MH  - Binding Sites
MH  - Class Ib Phosphatidylinositol 3-Kinase/*chemistry/*metabolism
MH  - Computer Simulation
MH  - Down-Regulation
MH  - Drug Screening Assays, Antitumor
MH  - Flavonoids/chemistry/*pharmacology
MH  - Gene Expression Regulation, Neoplastic/drug effects
MH  - Humans
MH  - Models, Molecular
MH  - Molecular Docking Simulation
MH  - Molecular Structure
MH  - Neoplasms/drug therapy/*enzymology
OTO - NOTNLM
OT  - Flavonoid
OT  - PI3K
OT  - anti-cancer
OT  - inhibitor
OT  - protein kinase
OT  - virtual screening
EDAT- 2020/07/31 06:00
MHDA- 2020/08/07 06:00
CRDT- 2020/07/31 06:00
PHST- 2020/06/03 00:00 [received]
PHST- 2020/07/03 00:00 [revised]
PHST- 2020/07/06 00:00 [accepted]
PHST- 2020/07/31 06:00 [entrez]
PHST- 2020/07/31 06:00 [pubmed]
PHST- 2020/08/07 06:00 [medline]
AID - 40/8/4547 [pii]
AID - 10.21873/anticanres.14460 [doi]
PST - ppublish
SO  - Anticancer Res. 2020 Aug;40(8):4547-4556. doi: 10.21873/anticanres.14460.