New pyrimidinothiophene derivatives: Synthesis, spectroscopic analysis, X-ray, DFT calculation, biological activity studies and ADMET prediction

[1]  Li Liu,et al.  New phenylisoxazole derivatives: Synthesis, Spectroscopic, X-ray, IR, DFT calculation and biological activity studies , 2023, Journal of Molecular Structure.

[2]  Peter A Halim,et al.  Recent updates on thienopyrimidine derivatives as anticancer agents , 2023, Medicinal Chemistry Research.

[3]  Shudong Wang,et al.  Kinase inhibitors: Opportunities for small molecule anticancer immunotherapies. , 2023, Drug discovery today.

[4]  A. Van Schepdael,et al.  Screening assays for tyrosine kinase inhibitors: A review. , 2022, Journal of pharmaceutical and biomedical analysis.

[5]  Longjia Yan,et al.  Synthesis, crystal structure, DFT calculation and biological activity of 3-((4-chloro-6-((4-morpholinophenyl)amino)-1,3,5-triazin-2-yl)amino)-N-methylthiophene-2-carboxamide , 2022, Molecular Crystals and Liquid Crystals.

[6]  Yan Zhang,et al.  Design, synthesis and antitumor activity of 5-trifluoromethylpyrimidine derivatives as EGFR inhibitors , 2022, Journal of enzyme inhibition and medicinal chemistry.

[7]  Li Liu,et al.  Discovery of 4-nitro-3-phenylisoxazole derivatives as potent antibacterial agents derived from the studies of [3 + 2] cycloaddition , 2022, RSC advances.

[8]  Ismail A. Abdelhamid,et al.  Design, Synthesis, DFT, TD-DFT/PCM Calculations, and Molecular Docking Studies on the Anti-COVID-19, and Anti-SARS Activities of Some New Bis-Thiazoles and Bis-Thiadiazole , 2022, Polycyclic Aromatic Compounds.

[9]  A. Shpakov,et al.  Synthesis, X-ray and DFT Studies of 6-halo-3-(hydroxymethyl)cinnolin-4(1H)-ones , 2022, Chemistry of Heterocyclic Compounds.

[10]  M. Jaccob,et al.  Experimental and DFT investigation on the role of aromaticity on the stability of hydrogen bonded complexes of cyclohexanone with amines and hydroxyl compounds , 2022, Journal of Molecular Liquids.

[11]  N. Çolak,et al.  Nitrobenzamido substitution on thiophene-3-carboxylate: Electrochemical investigation, Antioxidant activity, Molecular Docking, DFT Calculations , 2022, Journal of Molecular Structure.

[12]  F. Pottoo,et al.  A Comprehensive Review on Journey of Pyrrole Scaffold against Multiple Therapeutic Targets. , 2022, Anti-cancer agents in medicinal chemistry.

[13]  Rongsheng Tong,et al.  Recent progress on FAK inhibitors with dual targeting capabilities for cancer treatment. , 2022, Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie.

[14]  A. Murugan,et al.  Structural, Spectroscopic, Cytotoxicity and Molecular Docking Studies of Charge Transfer Salt: 4-Aminiumantipyrine Salicylate , 2022, Polycyclic Aromatic Compounds.

[15]  N. Goel,et al.  Heterocyclic compounds: Importance in anticancer drug discovery. , 2022, Anti-cancer agents in medicinal chemistry.

[16]  Jinxing Hu,et al.  Design, synthesis and antibacterial activity of novel pleuromutilin derivatives with thieno[2,3-d]pyrimidine substitution. , 2022, European journal of medicinal chemistry.

[17]  Ling He,et al.  Research progress on antineoplastic, antibacterial, and anti-inflammatory activities of seven-membered heterocyclic derivatives. , 2022, Current medicinal chemistry.

[18]  Longjia Yan,et al.  Design, synthesis and biological evaluation of a series of dianilinopyrimidines as EGFR inhibitors , 2022, Journal of enzyme inhibition and medicinal chemistry.

[19]  S. Okada,et al.  Synthesis of multicomponent crystals composed of 4-amino-1-methylpyridinium p-toluenesulfonate and phenol derivatives , 2022, Molecular Crystals and Liquid Crystals.

[20]  Wesley Vieira Ferreira,et al.  Potential scorpionate ligand derived from heterocyclic 2,4(1H,3H)-pyrimidinedithione: Synthesis, spectroscopic characterization and DFT studies , 2022, Polyhedron.

[21]  N. Dorosti,et al.  THEORETICAL STUDIES ON STRUCTURE-DIRECTING INTERACTIONS OF DIPHENYL N-(2-PYRAZINYL CARBONYL) PHOSPHORAMIDATE , 2022, Journal of Structural Chemistry.

[22]  H. Karaca,et al.  The metal sensing applications of chalcones: The synthesis, characterization and theoretical calculations , 2022, Journal of Molecular Structure.

[23]  K. Anand,et al.  Recent Trends in rationally designed molecules as kinase inhibitors. , 2021, Current medicinal chemistry.

[24]  N. Ajenjo,et al.  Macrocyclization as a Source of Desired Polypharmacology. Discovery of Triple PI3K/mTOR/PIM Inhibitors. , 2021, ACS medicinal chemistry letters.

[25]  A. Panchenko,et al.  Hirshfeld surfaces analysis and DFT study of the structure and IR spectrum of N-ethyl-2-amino-1-(4-chlorophenyl)propan-1-one (4-CEC) hydrochloride , 2021, Computational and Theoretical Chemistry.

[26]  Shivani Sharma,et al.  Synthesis and antiviral activity of diverse heterocyclic scaffolds , 2021, Chemical biology & drug design.

[27]  S. Rohani,et al.  Virtual Multicomponent Crystal Screening: Hydrogen Bonding Revisited , 2021, Crystal Growth & Design.

[28]  H. Choi,et al.  Identification of Thieno[3,2-d]pyrimidine Derivatives as Dual Inhibitors of Focal Adhesion Kinase and FMS-like Tyrosine Kinase 3. , 2021, Journal of medicinal chemistry.

[29]  T. Hökelek,et al.  Metallophthalocyanines derived with phenyl sulfide by bridging triazole using click chemistry: Synthesis, Computational Study, Redox Chemistry and Catalytic Activity , 2021, Journal of Molecular Structure.

[30]  S. M. Ivanov,et al.  Crystal Structure of 7-Amino-8-R-3-tert-Butyl-4-Oxo-1,4-Dihydropyrazolo[5,1-c][1,2,4]Triazines , 2021, Journal of Applied Spectroscopy.

[31]  Z. Demircioğlu,et al.  Novel methoxyquinoline derivative: Synthesis, characterization, crystal structure, Hirshfeld surface, thermodynamic properties, and quantum chemical calculation of 3,6,8-trimethoxyquinoline , 2021 .

[32]  F. Islam,et al.  Therapeutic Potential, Synthesis, Patent evaluation and SAR studies of thieno[3,2-d]pyrimidine derivatives: Recent updates. , 2021, Current drug targets.

[33]  F. Pan,et al.  Crystal structure and Hirshfeld surface analysis of bis(6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-5-ium) tetrachloridozincate , 2021, Acta crystallographica. Section E, Crystallographic communications.

[34]  Sujeet Kumar,et al.  Qualitative and Quantitative Study of Intermolecular Interactions in Imidazo[2,1‐b] [1,3,4] Thiadiazoles , 2021 .

[35]  M. J. Turner,et al.  CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals , 2021, Journal of applied crystallography.

[36]  Aiping Lu,et al.  ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties , 2021, Nucleic Acids Res..

[37]  K. Hevener,et al.  The Discovery and Development of Thienopyrimidines as Inhibitors of Helicobacter pylori That Act through Inhibition of the Respiratory Complex I. , 2021, ACS infectious diseases.

[38]  X. Coumoul,et al.  Design, Synthesis, and Biological Evaluation of Covalent Inhibitors of Focal Adhesion Kinase (FAK) against Human Malignant Glioblastoma. , 2020, Journal of medicinal chemistry.

[39]  M. Cheng,et al.  Discovery of 7H-pyrrolo[2,3-d]pyridine derivatives as potent FAK inhibitors: Design, synthesis, biological evaluation and molecular docking study. , 2020, Bioorganic chemistry.

[40]  Sirakanyan S N,et al.  Synthesis, evaluation of antimicrobial activity and molecular docking of new N-1,3-thiazol-2-ylacetamides of condensed pyrido[3',2':4,5]furo(thieno)[3,2-d]pyrimidines. , 2020, Current topics in medicinal chemistry.

[41]  N. Finiuk,et al.  Cage-Like Amines in the Green Protocol of Transannular Thieno[2,3-d]Pyrimidinone Formation as Promising Anticancer Agents , 2020, Chemistry of Heterocyclic Compounds.

[42]  F. El-Essawy,et al.  Synthesis and Antibacterial Activities of Different Five-Membered Heterocyclic Rings Incorporated with Pyridothienopyrimidine , 2020, ACS omega.

[43]  Shu-juan Liu,et al.  Single heterocyclic compounds as Monoamine Oxidase Inhibitors: From past to present. , 2020, Mini reviews in medicinal chemistry.

[44]  Patrick McCabe,et al.  Mercury 4.0: from visualization to analysis, design and prediction , 2020, Journal of applied crystallography.

[45]  A. Kadi,et al.  Detection and characterization of olmutinib reactive metabolites by LC-MS/MS: Elucidation of bioactivation pathways. , 2019, Journal of separation science.

[46]  A. Hassan,et al.  Synthesis and Anticancer Evaluation of Some Novel Thiophene, Thieno[3,2‐ d ]pyrimidine, Thieno[3,2‐ b ]pyridine, and Thieno[3,2‐ e ][1,4]oxazepine Derivatives Containing Benzothiazole Moiety , 2019, Journal of Heterocyclic Chemistry.

[47]  C. Oh,et al.  Thieno[2,3-d]pyrimidine as a promising scaffold in medicinal chemistry: Recent advances. , 2019, Bioorganic & medicinal chemistry.

[48]  Young Hoon Kim,et al.  Synthesis and evaluation of thieno[3,2-d]pyrimidine derivatives as novel FMS inhibitors. , 2019, Bioorganic & medicinal chemistry letters.

[49]  Y. Pei,et al.  Synthesis and structure–activity relationship study of diaryl[d,f][1,3]diazepines as potential anti-cancer agents , 2018, Molecular Diversity.

[50]  R. G. Paronikyan,et al.  Synthesis and neurotropic activity of 2,4-disubstituted pyrano[4',3':4,5]pyrido[2,3-b]thieno[3,2-d]pyrimidines , 2015, Russian Journal of Bioorganic Chemistry.

[51]  V. Cardile,et al.  Synthesis and biological evaluation of new benzo-thieno[3,2-d]pyrimidin-4-one sulphonamide thio-derivatives as potential selective cyclooxygenase-2 inhibitors , 2013, Molecular Diversity.

[52]  H. Vural A novel copper (II) complex containing pyrimidine-4-carboxylic acid: Synthesis, crystal structure, DFT studies, and molecular docking , 2022, Journal of Molecular Structure.

[53]  Longjia Yan,et al.  Development of 5-Trifluoromethylpyrimidine Derivatives as Dual Inhibitors of EGFR and SRC for Cancer Therapy , 2022, HETEROCYCLES.

[54]  Tao Yu,et al.  High-energetic and low-sensitive 1,3,5-triamino 2,4,6-trinitrobenzene (TATB) crystal: first principles investigation and Hirshfeld surface analysis , 2021 .

[55]  V. Kuznetsov,et al.  Nitrogen-, oxygen- and thiacontaining heterocyclic systems: advancement in synthesis and reactivity , 2020 .