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Structure Based Design of Some Novel 3-Methylquinoxaline Derivatives Through Molecular Docking and Pharmacokinetics Studies as Novel VEGFR-2 Inhibitors
Cancer is alleged to be the second major mortality inflicting malady according to the world health organization (WHO) reports. Even though there are...
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Quantum evaluation and therapeutic activity of (E)-N-(4-methoxyphenyl)-2-(4-(3-oxo-3-phenylprop-1-en-1-yl) phenoxy)acetamide and its modified derivatives against EGFR and VEGFR-2 in the treatment of triple-negative cancer via in silico approach
The most dangerous subtype of breast cancer, triple-negative breast cancer (TNBC), accounts for 25% of all breast cancer-related deaths and 15% of...
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Production and Conjugation of Truncated Recombinant Diphtheria Toxin to VEGFR-2 Specific Nanobody and Evaluation of its Cytotoxic Effect on PC-3 Cell Line
Immunotoxins have represented a great potency in targeted therapeutics to encounter tumors. They consist of a protein toxin conjugated to a targeting...
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3,4-Dihydroquinazolin-8-yl-3-phenylurea Derivatives: Synthesis, VEGFR-2 Kinase Inhibiting Activity, and Molecular Docking
AbstractNew 15 compounds have been synthesized targeting the highly conserved active site of VEGFR-2. Some of those have exhibited high...
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Vascular endothelial growth factor-C and its receptor-3 signaling in tumorigenesis
The cancer-promoting ligand vascular endothelial growth factor-C (VEGF-C) activates VEGF receptor-3 (VEGFR-3). The VEGF-C/VEGFR-3 axis is expressed...
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Synthesis, Biological Evaluation, and Molecular Docking Study of New Pyrazoline-Based Compounds
AbstractThe current study represents the synthesis and characterization of new pyrazoline, pyrazoline-thiazolinone, and pyrazoline-thiazole-based...
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A TMVP1-modified near-infrared nanoprobe: molecular imaging for tumor metastasis in sentinel lymph node and targeted enhanced photothermal therapy
BackgroundTMVP1 is a novel tumor targeting polypeptide screened by our laboratory with a core sequence of five amino acids LARGR. It specially binds...
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DBU-Mediated Efficient Synthesis of Indole-Conjugated Chromene Derivatives and Their Anticancer Evaluation and Molecular Modeling Study
AbstractA series of 9-(1 H -indol-3-yl)-2,3,4,9-tetrahydro-1 H -xanthen-1-one derivatives have been obtained by a one-pot three-component DBU-catalyzed...
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Amino Acid Profile, in vitro Cytotoxic Activity of Herniaria hemistemon J. Gay Extract and Isolated Chemical Constituents with Reference to Molecular Docking Simulation
Herniaria hemistemon (Caryophyllacae family) is traditionally used to treat a variety of diseases, including hernias, diabetes, ulcers, cancer, and...
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Novel quinazolines bearing 1,3,4-thiadiazole-aryl urea derivative as anticancer agents: design, synthesis, molecular docking, DFT and bioactivity evaluations
A novel series of 1-(5-((6-nitroquinazoline-4-yl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea derivatives 8 were designed and synthesized to evaluate...
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In Vitro and In Silico Studies on 4-Nitroacetophenone Thiosemicarbazone Potential Cytotoxicity Against A549 Cell Lines
AbstractLung malignancy is a major worldwide issue that occurs due to the dysregulation of various growth factors. Lung cancer has no apparent signs...
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Design, Synthesis, In Vitro Cytotoxicity, ADME Prediction, and Molecular Docking Study of Benzimidazole-Linked Pyrrolone and N-Benzylpyrrolone Derivatives
AbstractA series of benzimidazole-tethered pyrrolones and N -benzylpyrrolones were synthesized, characterized, and explored for their in vitro...
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Proteinkinase Inhibitors
This book reviews the principles of design and examples of successful implementation of proteinkinase inhibitors (PKI), and offers a comprehensive...
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Design, Synthesis, Anticancer Activity, and Cell Cycle Analysis of Novel Quinazoline Derivatives Targeting VEGFR-2 Kinase
AbstractNovel quinazoline derivatives have been designed, synthesized and tested for cytotoxic activity against HCT116, and MCF-7 cell lines. The...
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In Silico Molecular Docking of Bioactive Molecules Isolated from Raphia taedigera Seed Oil as Potential Anti-cancer Agents Targeting Vascular Endothelial Growth Factor Receptor-2
The role of angiogenesis in cancer pathophysiology cannot be over emphasized as this process aids tumor metastasis via nourishment of nutrient...
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Synthesis of Benzothiazole/Benzimidazole-Conjugated Imidazoles as Anticancer Agents and Their Molecular Modeling
AbstractAn efficient and high-yielding method was developed for the synthesis of N -(benzo[ d ]thiazol-2-yl)-6-methoxy-5-(4-methyl-1 H -imidazol-1-yl)pyri...
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In Silico Repurposing of a Novel Inhibitor (drug) of EGFR and VEGFR-2 Kinases of Cancer by Pharmacokinetics, Toxicity, Molecular Docking, and Molecular Dynamics Simulation
Vascular endothelial growth factor is an angiogenic that promotes the development and metastasis of tumors (VEGF). The epidermal growth factor...
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QSAR analysis of VEGFR-2 inhibitors based on machine learning, Topomer CoMFA and molecule docking
VEGFR-2 kinase inhibitors are clinically approved drugs that can effectively target cancer angiogenesis. However, such inhibitors have adverse...
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In-silico identification of Coumarin-based natural compounds as potential VEGFR-2 inhibitors
The coumarin nucleus is a simple privileged scaffold distributed in many plants. It has recently gained attention for its diverse biological...
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Receptor-based pharmacophore modeling, molecular docking, synthesis and biological evaluation of novel VEGFR-2, FGFR-1, and BRAF multi-kinase inhibitors
A receptor-based pharmacophore model describing the binding features required for the multi-kinase inhibition of the target kinases (VEGFR-2, FGFR-1,...
