Cargando…

Anti-gastric cancer activity of 1,2,3-triazolo[4,5-d]pyrimidine hybrids (1,2,3-TPH): QSAR and molecular docking approaches

Gastric cancer as a dreaded disease which occurs in the digestive system of human being remain a threat to the medical world. Bioactivity of series of designed and synthesized molecular compounds containing triazole and pyrimidine moieties were subjected to quantum chemical calculations using B3LYP/...

Descripción completa

Detalles Bibliográficos
Autores principales:	Kolawole, Oyebamiji Abel, Olatomide A, Fadare, Banjo, Semire
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7090349/ https://www.ncbi.nlm.nih.gov/pubmed/32215327 http://dx.doi.org/10.1016/j.heliyon.2020.e03561

Ejemplares similares

Dataset on the DFT-QSAR, and docking approaches for anticancer activities of 1, 2, 3-triazole-pyrimidine derivatives against human esophageal carcinoma (EC-109)
por: Adegoke, Rhoda Oyeladun, et al.
Publicado: (2020)

Theoretical calculations of molecular descriptors for anticancer activities of 1, 2, 3-triazole-pyrimidine derivatives against gastric cancer cell line (MGC-803): DFT, QSAR and docking approaches
por: Oyewole, Rhoda Oyeladun, et al.
Publicado: (2020)

Dataset on Insilico approaches for 3,4-dihydropyrimidin-2(1H)-one urea derivatives as efficient Staphylococcus aureus inhibitor
por: Oyebamiji, Abel Kolawole, et al.
Publicado: (2020)

Discovery of [1,2,3]triazolo[4,5-d]pyrimidine derivatives as highly potent, selective, and cellularly active USP28 inhibitors
por: Liu, Zhenzhen, et al.
Publicado: (2020)

3-Benzyl-6-butyl-5-propyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
por: Zeng, Xiao-Hua, et al.
Publicado: (2010)

3-Benzyl-6-isopropyl-5-phenoxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
por: Deng, Shou-Heng, et al.
Publicado: (2009)

6-Isopropyl-5-methoxy-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
por: Zeng, Xiao-Hua, et al.
Publicado: (2010)

6-Allyl-3-(6-chloro-3-pyridylmethyl)-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-imine
por: Pan, Dong-Feng, et al.
Publicado: (2009)

2-Arylhydrazononitriles as building blocks in heterocyclic synthesis: A novel route to 2-substituted-1,2,3-triazoles and 1,2,3-triazolo[4,5-b]pyridines
por: Al-Mousawi, Saleh M, et al.
Publicado: (2007)

6-Butyl-5-(4-methoxyphenoxy)-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
por: Zeng, Xiao-Hua, et al.
Publicado: (2009)

5-(4-Chlorophenoxy)-6-isopropyl-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
por: Zeng, Xiao-Hua, et al.
Publicado: (2009)

6-Butyl-5-(4-methylphenoxy)-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
por: Wang, Hong-Mei, et al.
Publicado: (2010)

6-Benzyl-3-[(6-chloropyridin-3-yl)methyl]-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-imine
por: Pan, Dong-Feng, et al.
Publicado: (2011)

Molecular properties and In silico bioactivity evaluation of (4-fluorophenyl)[5)-3-phen-(4-nitrophenyl yl-4,5-dihydro-1H-pyrazol-1-yl]methanone derivatives: DFT and molecular docking approaches
por: Omotayo, Ibrahim A., et al.
Publicado: (2023)

6-Isopropyl-3-phenyl-5-(p-tolyloxy)-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one: whole-molecule disorder
por: Zeng, Xiao-Hua, et al.
Publicado: (2009)

Regioselective Synthesis and Molecular Docking Studies of 1,5-Disubstituted 1,2,3-Triazole Derivatives of Pyrimidine Nucleobases
por: Algieri, Vincenzo, et al.
Publicado: (2022)

Poly[aqua(μ(1,1)-azido)(μ-3H-1,2,3-triazolo[4,5-b]pyridin-3-olato)cobalt(II)]
por: Zhao, Jiong-Peng, et al.
Publicado: (2010)

Synthesis of 1,2,3-Triazolo[4,5-h]quinolone Derivatives with Novel Anti-Microbial Properties against Metronidazole Resistant Helicobacter pylori
por: Abu-Sini, Mohammad, et al.
Publicado: (2017)

The Reaction of 4,5-Dichloro-1,2,3-dithiazolium Chloride with Sulfimides: A New Synthesis of N-Aryl-1,2,3-dithiazolimines
por: Kalogirou, Andreas S., et al.
Publicado: (2009)

Differentiation between Isomeric 4,5-Functionalized 1,2,3-Thiadiazoles and 1,2,3-Triazoles by ESI-HRMS and IR Ion Spectroscopy
por: Mazur, Dmitrii M., et al.
Publicado: (2023)

Using 1.2.3 /
Publicado: (1987)

1,2,3-Triazoles
por: Rachwal, S., et al.
Publicado: (2008)

2D, 3D-QSAR and docking studies of 1,2,3-thiadiazole thioacetanilides analogues as potent HIV-1 non-nucleoside reverse transcriptase inhibitors
por: Jain, Shailesh V, et al.
Publicado: (2012)

Dataset on theoretical bio-evaluation of 1,2,4-thiadiazole-1,2,4-triazole analogues against epidermal growth factor receptor kinase down regulating human lung cancer
por: Oyebamiji, Abel Kolawole, et al.
Publicado: (2021)

Integrated 3D-QSAR, molecular docking, and molecular dynamics simulation studies on 1,2,3-triazole based derivatives for designing new acetylcholinesterase inhibitors
por: EL KHATABI, Khalil, et al.
Publicado: (2021)

Synthesis of 2-tetrafluoropyridyl-4,5-disubstituted 1,2,3-triazoles
por: Beyki, Khalil, et al.
Publicado: (2016)

Acylation of Heteroaromatic Amines: Facile and Efficient Synthesis of a New Class of 1,2,3-Triazolo[4,5-b]pyridine and Pyrazolo[4,3-b]pyridine Derivatives
por: Ibrahim, Hamada Mohamed, et al.
Publicado: (2011)

Discovery of novel 1,2,3-triazole derivatives as anticancer agents using QSAR and in silico structural modification
por: Prachayasittikul, Veda, et al.
Publicado: (2015)

1,2,3-Trifluorobenzene
por: Kirchner, Michael T., et al.
Publicado: (2009)

New 1,2,3-Triazole-Appended Bis-pyrazoles: Synthesis, Bioevaluation, and Molecular Docking
por: Danne, Ashruba B., et al.
Publicado: (2021)

Synthesis, antimicrobial evaluation and docking studies of fluorinated imine linked 1,2,3-triazoles
por: Kumar, Aman, et al.
Publicado: (2022)

Reproductive toxicology. 1,2,3-Trichloropropane.
Publicado: (1997)

Combined Structure-Based Pharmacophore and 3D-QSAR Studies on Phenylalanine Series Compounds as TPH1 Inhibitors
por: Ouyang, Liang, et al.
Publicado: (2012)

Dataset on biochemical inhibiting activities of selected phytochemicals in Azadirachta indica L as potential NS2B–NS3 proteases inhibitors
por: Oyebamiji, Abel Kolawole, et al.
Publicado: (2023)

Dataset on in-silico investigation on triazole derivatives via molecular modelling approach: A potential glioblastoma inhibitors
por: Oyebamiji, Abel Kolawole, et al.
Publicado: (2020)

Synthesis, antimicrobial and in vitro antitumor activities of a series of 1,2,3-thiadiazole and 1,2,3-selenadiazole derivatives
por: Mhaidat, Nizar M, et al.
Publicado: (2015)

Antimicrobial and Antifungal Activity of Rare Substituted 1,2,3-Thiaselenazoles and Corresponding Matched Pair 1,2,3-Dithiazoles
por: Laitinen, Tuomo, et al.
Publicado: (2020)

Multi-Armed 1,2,3-Selenadiazole and 1,2,3-Thiadiazole Benzene Derivatives as Novel Glyoxalase-I Inhibitors
por: Al-Balas, Qosay A., et al.
Publicado: (2019)

Click chemistry towards thermally reversible photochromic 4,5-bisthiazolyl-1,2,3-triazoles
por: Zhang, Chenxia, et al.
Publicado: (2019)

Palladium-Catalyzed Direct (Het)arylation Reactions of Benzo[1,2-d:4,5-d′]bis([1,2,3]thiadiazole and 4,8-Dibromobenzo[1,2-d:4,5-d′]bis([1,2,3]thiadiazole)
por: Chmovzh, Timofey N., et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_ecl1t36rbc9ke5dm8i0kjtatag