Facile Synthesis, Inhibition of VEGFR-2, Anticancer activity, Molecular Dynamics Simulation and Target Identification of Some New Pyrano thiazine derivatives
Elserwy, W., Mohammed, N., Elserwy, W., Abdallah, M., El-Rashedy, A. (2023). Facile Synthesis, Inhibition of VEGFR-2, Anticancer activity, Molecular Dynamics Simulation and Target Identification of Some New Pyrano thiazine derivatives. EKB Journal Management System, 66(8), 467-483. doi: 10.21608/ejchem.2022.173057.7167
Walaa Salah Elserwy; Neama Mohammed; Weam Salah Elserwy; Mohamed Abdallah; Ahmed El-Rashedy. "Facile Synthesis, Inhibition of VEGFR-2, Anticancer activity, Molecular Dynamics Simulation and Target Identification of Some New Pyrano thiazine derivatives". EKB Journal Management System, 66, 8, 2023, 467-483. doi: 10.21608/ejchem.2022.173057.7167
Elserwy, W., Mohammed, N., Elserwy, W., Abdallah, M., El-Rashedy, A. (2023). 'Facile Synthesis, Inhibition of VEGFR-2, Anticancer activity, Molecular Dynamics Simulation and Target Identification of Some New Pyrano thiazine derivatives', EKB Journal Management System, 66(8), pp. 467-483. doi: 10.21608/ejchem.2022.173057.7167
Elserwy, W., Mohammed, N., Elserwy, W., Abdallah, M., El-Rashedy, A. Facile Synthesis, Inhibition of VEGFR-2, Anticancer activity, Molecular Dynamics Simulation and Target Identification of Some New Pyrano thiazine derivatives. EKB Journal Management System, 2023; 66(8): 467-483. doi: 10.21608/ejchem.2022.173057.7167

Facile Synthesis, Inhibition of VEGFR-2, Anticancer activity, Molecular Dynamics Simulation and Target Identification of Some New Pyrano thiazine derivatives

Egyptian Journal of Chemistry
Volume 66, Issue 8, August 2023, Page 467-483  XML PDF (1.58 MB)
Document Type: Original Article
DOI: 10.21608/ejchem.2022.173057.7167
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Authors
Walaa Salah Elserwyorcid 1; Neama Mohammedorcid 1; Weam Salah Elserwy email orcid 2; Mohamed Abdallah3; Ahmed El-Rashedyorcid 2
1Department of Therapeutic Chemistry, Pharmaceutical and Drug Industries Research Institute, National Research Centre, Dokki, Cairo, Egypt, 12622.
2Department Of Microbial and Natural Products chemistry, Pharmaceutical and Drug Industries Research Institute, National Research Centre, Dokki, Cairo, Egypt, 12622.
3Atos Pharma, Elkatyba Land, Belbis, ElSharkya 44621, Egypt.
Abstract
A new series of )2-amino-4-(substituted)-4,10-dihydrobenzo[b]pyrano[2,3-e][1,4]thiazine-3-carbonitrile( 3(a, b) was synthesized by the reaction of 2-(substituted) malononitrile with 2H-benzo[b][1,4]thiazin-3(4H)-one as a key starting material, )2-amino-4-(substituted)-4,10-dihydrobenzo[b]pyrano[2,3-e][1,4]thiazine-3-carbonitrile( 3(a, b) reacted with some reagents, namely, formic acid, sulphuric acid, thiosemicarbazide, ethyl acetoacetate, triethyl orthoformate, carbon disulphide, diethylmalonate, malononitrile, phosphoryl chloride , and acetic anhydride to produce compounds 4(a,b), 5(a,b), 6(a,b), 8(a,b), 9(a,b), 10(a,b),11(a,b),14(a,b),15(a,b), and 18(a,b) some of newly synthesized compounds were studied and screened for their in vitro anticancer activity. Moreover, molecular dynamics simulation and target identification studies were conducted to support the findings .All the newly synthesized compounds were structurally confirmed by various modern analytical methods (IR, 1H NMR and MS).
Keywords
pyrano thiazine. VEGFR-2; Anticancer; molecular dynamics simulation
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