Cargando…

Unlocking the potential of approved drugs for the allosteric inhibition of tropomyosin-receptor kinase A using molecular docking and molecular dynamics studies

Tropomyosin-receptor kinase A (TrkA) is the primary isoform among the tropomyosin-receptor kinases that have been associated with human cancer development, contributing to approximately 7.4% of all cancer cases. TrkA represents an attractive target for cancer treatment; however, currently available...

Descripción completa

Detalles Bibliográficos
Autores principales:	Mukhtar, Rua M., Abdelmoniem, Nihal, Elrufaie, Hisham A., Edris, Alaa, Ghaboosh, Hiba, Mahgoub, Mohanad A., Garelnabi, Elrashied A. E., Osman, Wadah, Sherif, Asmaa E., Ashour, Ahmed, Ghazawi, Kholoud F., Samman, Waad A., Alhaddad, Aisha A., Bafail, Rawan, Ibrahim, Sabrin R. M., Mohamed, Gamal A., Alzain, Abdulrahim A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2023
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10282146/ https://www.ncbi.nlm.nih.gov/pubmed/37351516 http://dx.doi.org/10.3389/fchem.2023.1205724

Ejemplares similares

Design of Novel Letrozole Analogues Targeting Aromatase for Breast Cancer: Molecular Docking, Molecular Dynamics, and Theoretical Studies on Gold Nanoparticles
por: Edris, Alaa, et al.
Publicado: (2023)

Computational Insights into Natural Antischistosomal Metabolites as SmHDAC8 Inhibitors: Molecular Docking, ADMET Profiling, and Molecular Dynamics Simulation
por: Alzain, Abdulrahim A., et al.
Publicado: (2023)

Design of Novel Phosphatidylinositol 3-Kinase Inhibitors for Non-Hodgkin’s Lymphoma: Molecular Docking, Molecular Dynamics, and Density Functional Theory Studies on Gold Nanoparticles
por: Ali, Abdalrahim M., et al.
Publicado: (2023)

Recent advances on natural depsidones: sources, biosynthesis, structure-activity relationship, and bioactivities
por: Khayat, Maan T., et al.
Publicado: (2023)

Identification of Novel Natural Dual HDAC and Hsp90 Inhibitors for Metastatic TNBC Using e-Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Studies
por: AbdElmoniem, Nihal, et al.
Publicado: (2023)

Modulation of NRF2/KEAP1-Mediated Oxidative Stress for Cancer Treatment by Natural Products Using Pharmacophore-Based Screening, Molecular Docking, and Molecular Dynamics Studies
por: Alzain, Abdulrahim A., et al.
Publicado: (2023)

Exploring the potential of approved drugs for triple-negative breast cancer treatment by targeting casein kinase 2: Insights from computational studies
por: Shoaib, Tagyedeen H., et al.
Publicado: (2023)

Molecular Docking and Molecular Dynamics Studies Reveal the Anticancer Potential of Medicinal-Plant-Derived Lignans as MDM2-P53 Interaction Inhibitors
por: Shoaib, Tagyedeen H., et al.
Publicado: (2023)

Natural Reno-Protective Agents against Cyclosporine A-Induced Nephrotoxicity: An Overview
por: Ibrahim, Sabrin R. M., et al.
Publicado: (2022)

Discovery of novel natural products as dual MNK/PIM inhibitors for acute myeloid leukemia treatment: Pharmacophore modeling, molecular docking, and molecular dynamics studies
por: Mohamed, Linda M., et al.
Publicado: (2022)

Identification of novel TMPRSS2 inhibitors for COVID-19 using e-pharmacophore modelling, molecular docking, molecular dynamics and quantum mechanics studies
por: Alzain, Abdulrahim A., et al.
Publicado: (2021)

Marine-Derived Compounds for CDK5 Inhibition in Cancer: Integrating Multi-Stage Virtual Screening, MM/GBSA Analysis and Molecular Dynamics Investigations
por: Shoaib, Tagyedeen H., et al.
Publicado: (2023)

Discovery of novel TMPRSS2 inhibitors for COVID-19 using in silico fragment-based drug design, molecular docking, molecular dynamics, and quantum mechanics studies
por: Alzain, Abdulrahim A., et al.
Publicado: (2022)

Repurposing of approved drugs for targeting CDK4/6 and aromatase protein using molecular docking and molecular dynamics studies
por: yousif, Fatima A., et al.
Publicado: (2023)

Potential Therapeutic Target and Vaccines for SARS-CoV-2
por: Hussain, Mohamed A., et al.
Publicado: (2023)

Comparative Genomic Analysis of Multi-Drug Resistant Pseudomonas aeruginosa Sequence Type 235 Isolated from Sudan
por: Hussain, Mohamed A., et al.
Publicado: (2023)

Detection of Nonsynonymous Single Variants in Human HLA-DRB1 Exon 2 Associated with Renal Transplant Rejection
por: Hassan, Mohamed M., et al.
Publicado: (2023)

Drug repurposing against main protease and RNA-dependent RNA polymerase of SARS-CoV-2 using molecular docking, MM-GBSA calculations and molecular dynamics
por: Mohammed, Ahmed O., et al.
Publicado: (2022)

Drug repurposing for SARS-CoV-2 main protease: Molecular docking and molecular dynamics investigations
por: Omer, Samia E., et al.
Publicado: (2022)

Ferula sinkiangensis (Chou-AWei, Chinese Ferula): Traditional Uses, Phytoconstituents, Biosynthesis, and Pharmacological Activities
por: Khayat, Maan T., et al.
Publicado: (2023)

Effects of an Interchain Disulfide Bond on Tropomyosin Structure: A Molecular Dynamics Study
por: Koubassova, Natalia A., et al.
Publicado: (2018)

De Novo Design of Cathepsin B1 Inhibitors as Potential Anti-Schistosomal Agents Using Computational Studies
por: Alzain, Abdulrahim A, et al.
Publicado: (2022)

Genus Acanthella—A Wealthy Treasure: Secondary Metabolites, Synthesis, Biosynthesis, and Bioactivities
por: Ibrahim, Sabrin R. M., et al.
Publicado: (2023)

A Molecular Evolution Approach to Study the Roles of Tropomyosin in Fission Yeast
por: Cranz-Mileva, Susanne, et al.
Publicado: (2013)

Tropomyosin antibody: the specific localization of tropomyosin in nonmuscle cells
Publicado: (1975)

Molecular Characterization of Tropomyosin and Its Potential Involvement in Muscle Contraction in Pacific Abalone
por: Hanif, Md Abu, et al.
Publicado: (2022)

Molecular basis of mRNA transport by a kinesin-1–atypical tropomyosin complex
por: Dimitrova-Paternoga, Lyudmila, et al.
Publicado: (2021)

Inflammatory Adipokines Decrease Expression of Two High Molecular Weight Isoforms of Tropomyosin Similar to the Change in Type 2 Diabetic Patients
por: Savill, Stuart A., et al.
Publicado: (2016)

A systematic nomenclature for mammalian tropomyosin isoforms
por: Geeves, Michael A., et al.
Publicado: (2014)

Structural and Functional Properties of Kappa Tropomyosin
por: Kopylova, Galina V., et al.
Publicado: (2023)

Temperature sensitive point mutations in fission yeast tropomyosin have long range effects on the stability and function of the actin-tropomyosin copolymer
por: Johnson, Chloe A., et al.
Publicado: (2018)

cGMP interacts with tropomyosin and downregulates actin-tropomyosin-myosin complex interaction
por: Zou, Lihui, et al.
Publicado: (2018)

Molecular Mechanical Differences between Isoforms of Contractile Actin in the Presence of Isoforms of Smooth Muscle Tropomyosin
por: Hilbert, Lennart, et al.
Publicado: (2013)

Impact of Troponin in Cardiomyopathy Development Caused by Mutations in Tropomyosin
por: Nefedova, Victoria V., et al.
Publicado: (2022)

Transethosomal Gel for the Topical Delivery of Celecoxib: Formulation and Estimation of Skin Cancer Progression
por: Abdellatif, Ahmed A. H., et al.
Publicado: (2022)

Chaetomugilins and Chaetoviridins—Promising Natural Metabolites: Structures, Separation, Characterization, Biosynthesis, Bioactivities, Molecular Docking, and Molecular Dynamics
por: Omar, Abdelsattar M., et al.
Publicado: (2022)

Expression of tropomyosin isoforms in benign and malignant human breast lesions.
por: Franzén, B., et al.
Publicado: (1996)

Favorable outcome of PML‐RARα short isoform and FLT3‐ITD mutation in a patient with several adverse prognostic markers: A case report
por: Bafail, Mohammed A., et al.
Publicado: (2023)

A molecular probe carrying anti-tropomyosin 4 for early diagnosis of cerebral ischemia/reperfusion injury
por: Yu, Teng-Fei, et al.
Publicado: (2022)

The Potential Neuroprotective Effect of Thymoquinone on Scopolamine-Induced In Vivo Alzheimer’s Disease-like Condition: Mechanistic Insights
por: Abo Mansour, Hend E., et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_3t9huqtjherv5k5o59s6a58m48