Computational Simulations of Identified marine-derived Natural Bioactive Compounds As Potential Inhibitors of Oral Cancer

References

• KumarM , NanavatiR , ModiTG , DobariyaC. Oral cancer: etiology and risk factors: a review. J. Cancer. Res. Ther.12(2), 458–463 (2016).
   PubMed Web of Science ®Google Scholar
• AbatiS , BramatiC , BondiS , LissoniA , TrimarchiM. Oral cancer and precancer: a narrative review on the relevance of early diagnosis. Int. J. Environ. Res. Public Health17(24), 9160 (2020).
   PubMed Web of Science ®Google Scholar
• ValdezJA , BrennanMT. Impact of oral cancer on quality of life. Dent. Clin. North Am.62(1), 143–154 (2018).
   PubMedGoogle Scholar
• FathimaJS , SelvarajJ , SivabalanVet al.Molecular docking of potential inhibitors with the mTOR protein. Bioinformation17(1), 212–217 (2021).
   PubMed Web of Science ®Google Scholar
• SelvarajJ , JhSF , SivabalanVet al.Molecular modeling of cornulin (CRNN) for docking with phytocompounds from Justicia adhatoda L. Bioinformation17(1), 200–205 (2021).
   PubMed Web of Science ®Google Scholar
• D'SouzaS , AddepalliV. Preventive measures in oral cancer: an overview. Biomed. Pharmacother.107, 72–80 (2018).
   PubMed Web of Science ®Google Scholar
• ShibaharaT. Oral cancer – diagnosis and therapy.Clin. Calcium27(10), 1427–1433 (2017).
   PubMedGoogle Scholar
• ParéA , JolyA. Cancers de la cavité buccale: facteurs de risque et prise en charge. Oral cancer: risk factors and management. Presse Med.46(3), 320–330 (2017).
   PubMed Web of Science ®Google Scholar
• RoyNK , MonishaJ , PadmavathiGet al.Isoform-specific role of Akt in oral squamous cell carcinoma. Biomolecules9(7), 253 (2019).
   PubMed Web of Science ®Google Scholar
• NeastaJ , BenHamida S , YowellQV , CarnicellaS , RonD. AKT signaling pathway in the nucleus accumbens mediates excessive alcohol drinking behaviors. Boil. Psychiatry70, 575–582 (2011).
   PubMed Web of Science ®Google Scholar
• JiM , WangW , YanW , ChenD , DingX , WangA. Dysregulation of AKT1, a miR-138 target gene, is involved in the migration and invasion of tongue squamous cell carcinoma. J. Oral Pathol. Med.46(9), 731–737 (2017).
   PubMed Web of Science ®Google Scholar
• HaraS , NakashiroK , GodaH , HamakawaH. Role of Akt isoforms in HGF-induced invasive growth of human salivary gland cancer cells. Biochem. Biophys. Res. Commun.370(1), 123–128 (2008).
   PubMed Web of Science ®Google Scholar
• SophiaJ , KowshikJ , DwivediAet al.Nimbolide, a neem limonoid inhibits cytoprotective autophagy to activate apoptosis via modulation of the PI3K/Akt/GSK-3β signalling pathway in oral cancer. Cell Death Dis.9(11), 1087 (2018).
   PubMedGoogle Scholar
• Carrillo-BeltránD , MuñozJP , Guerrero-VásquezNet al.Human Papillomavirus 16 E7 promotes EGFR/PI3K/AKT1/NRF2 signaling pathway contributing to PIR/NF-κB activation in oral cancer cells. Cancers (Basel)12(7), 1904 (2020).
   PubMed Web of Science ®Google Scholar
• RoyN , GollaR , KunnumakkaraA , KotokyJ. Specific targeting of Akt kinase isoforms: taking the precise path for prevention and treatment of cancer. Curr. Drug Targets18, 421–435 (2017).
   PubMed Web of Science ®Google Scholar
• IamaroonA , KrisanaprakornkitS. Overexpression and activation of Akt2 protein in oral squamous cell carcinoma. Oral Oncol.45(10), e175–e179 (2009).
   PubMed Web of Science ®Google Scholar
• TomitaR , SasabeE , TomomuraA , YamamotoT. Macrophage-derived exosomes attenuate the susceptibility of oral squamous cell carcinoma cells to chemotherapeutic drugs through the AKT/GSK-3β pathway. Oncol. Rep.44(5), 1905–1916 (2020).
   PubMed Web of Science ®Google Scholar
• CeramiE , GaoJ , DogrusozUet al.The cBio Cancer Genomics Portal: an open platform for exploring multidimensional cancer genomics data. Cancer Discov.2, 401–404 (2012).
   PubMed Web of Science ®Google Scholar
• GaoJ , DogrusozU , DresdnerGet al.Integrative analysis of complex cancer genomics and clinical profiles using the cBioPortal. Sci. Signal.6(269), pl1 (2013).
   PubMed Web of Science ®Google Scholar
• SchneiderCA , RasbandWS , EliceiriKW. NIH Image to ImageJ: 25 years of image analysis. Nat. Methods9, 671–675 (2012).
   PubMed Web of Science ®Google Scholar
• HarshaC , BanikK , AngHLet al.Targeting AKT/mTOR in oral cancer: mechanisms and advances in clinical trials. Int. J. Mol. Sci.21(9), 3285 (2020).
   PubMed Web of Science ®Google Scholar
• YangY , ChenD , LiuH , YangK. Increased expression of lncRNA CASC9 promotes tumor progression by suppressing autophagy-mediated cell apoptosis via the AKT/mTOR pathway in oral squamous cell carcinoma. Cell Death Dis.10(2), 41 (2019).
   PubMed Web of Science ®Google Scholar
• BarzkarN , TamadoniJahromi S , PoorsaheliHB , VianelloF. Metabolites from marine microorganisms, micro, and macroalgae: immense scope for pharmacology. Mar. Drugs17(8), 464 (2019).
   PubMed Web of Science ®Google Scholar
• ParateS , KumarV , HongJC , LeeKW. Investigation of marine-derived natural products as Raf kinase inhibitory protein (RKIP)-binding ligands. Mar. Drugs19(10), 581 (2021).
   PubMed Web of Science ®Google Scholar
• KumarV , ParateS , YoonS , LeeG , LeeKW. Computational simulations identified marine-derived natural bioactive compounds as replication inhibitors of SARS-CoV-2. Front. Microbiol.12, 647295 (2021).
   PubMed Web of Science ®Google Scholar
• KimSK. Seafood Processing By-Products – Trends and Applications.Springer-Verlag, NY, USA (2014).
   Google Scholar
• PonnulakshmiR , ShyamaladeviB , VijayalakshmiP , SelvarajJ. In silico and in vivo analysis to identify the antidiabetic activity of beta sitosterol in adipose tissue of high fat diet and sucrose induced type-2 diabetic experimental rats. Toxicol. Mech. Methods29(4), 276–290 (2019).
   PubMed Web of Science ®Google Scholar
• JayaramanS , DevarajanN , RajagopalPet al.β-sitosterol circumvents obesity induced inflammation and insulin resistance by down-regulating IKKβ/NF-κB and JNK signaling pathway in adipocytes of type 2 diabetic rats. Molecules26(7), 2101 (2021).
   PubMed Web of Science ®Google Scholar
• BIOVIA – Scientific Enterprise Software for Chemical Research, “Material Science R&D,” 2020. https://www.3dsbiovia.com
   Google Scholar
• SchrodingerL. The PyMOL Molecular Graphics System, Version 2.2.0.Schrödinger, Inc., Karnataka, India (2015).
   Google Scholar
• LipinskiCA. Drug Discov. Today Technol.2004(1), 337–341 (2004).
   Google Scholar
• MarocchioLS , LimaJ , SperandioFF , CorreaL , de SousaSO. Oral squamous cell carcinoma: an analysis of 1,564 cases showing advances in early detection. J. Oral Sci.52(2), 267–273 (2010).
   PubMedGoogle Scholar
• RajibSA , SiamMK. Characterization and analysis of mammalian AKR7A gene promoters: implications for transcriptional regulation. Biochem. Genetics58(1), 171–188 (2020).
   PubMed Web of Science ®Google Scholar
• ArchewaP , PataS , ChotjumlongP , SupanchartC , KrisanaprakornkitS , IamaroonA. Akt2 and p-Akt overexpression in oral cancer cells is due to a reduced rate of protein degradation. J. Investig. Clin. Dent.8(1), e12194 (2017).
   Google Scholar
• JankuF , YapTA , Meric-BernstamF. Targeting the PI3K pathway in cancer: are we making headway?Nat. Rev. Clin. Oncol15(5), 273–291 (2018).
   PubMed Web of Science ®Google Scholar
• ChenYC. Beware of docking!Trends Pharmacol. Sci.36(2), 78–95 (2015).
   PubMed Web of Science ®Google Scholar
• SharifSiam MK , SarkerA , SayeemMMS. In silico drug design and molecular docking studies targeting Akt1 (RAC-alpha serine/threonine-protein kinase) and Akt2 (RAC-beta serine/threonine-protein kinase) proteins and investigation of CYP (cytochrome P450) inhibitors against MAOB (monoamine oxidase B) for OSCC (oral squamous cell carcinoma) treatment. J. Biomol. Struct. Dyn.39(17), 6467–6479 (2021).
   PubMed Web of Science ®Google Scholar
• AlvesC , PinteusS , SimõesTet al.Bifurcaria bifurcata: a key macro-alga as a source of bioactive compounds and functional ingredients. Int. J. Food Sci. Technol.51, 1638–1646 (2016).
   Web of Science ®Google Scholar
• PlouguernéE , da GamaBAP , PereiraRC , Barreto-BergterE. Glycolipids from seaweeds and their potential biotechnological applications. Front. Cell. Infect. Microbiol.4, 174 (2014).
   PubMed Web of Science ®Google Scholar
• DoughertyDA. The cation-π interaction. Acc. Chem. Res.46(4), 885–893 (2013)
   PubMed Web of Science ®Google Scholar
• PatilR , DasS , StanleyA , YadavL , SudhakarA , VarmaAK. Optimized hydrophobic interactions and hydrogen bonding at the target-ligand interface leads the pathways of drug-designing. PloS One5(8), e12029 (2010).
   PubMed Web of Science ®Google Scholar