Cargando…

In silico Methods for Design of Kinase Inhibitors as Anticancer Drugs

Rational drug design implies usage of molecular modeling techniques such as pharmacophore modeling, molecular dynamics, virtual screening, and molecular docking to explain the activity of biomolecules, define molecular determinants for interaction with the drug target, and design more efficient drug...

Descripción completa

Detalles Bibliográficos
Autores principales:	Gagic, Zarko, Ruzic, Dusan, Djokovic, Nemanja, Djikic, Teodora, Nikolic, Katarina
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2020
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6960140/ https://www.ncbi.nlm.nih.gov/pubmed/31970149 http://dx.doi.org/10.3389/fchem.2019.00873

Ejemplares similares

Correlating Basal Gene Expression across Chemical Sensitivity Data to Screen for Novel Synergistic Interactors of HDAC Inhibitors in Pancreatic Carcinoma
por: Djokovic, Nemanja, et al.
Publicado: (2023)

Synthesis and Biological Activity of a Cytostatic Inhibitor of MLLr Leukemia Targeting the DOT1L Protein
por: Bon, Corentin, et al.
Publicado: (2021)

Targeting Histone Deacetylases: Opportunities for Cancer Treatment and Chemoprevention
por: Ruzic, Dusan, et al.
Publicado: (2022)

Targeting Histone Deacetylases 6 in Dual-Target Therapy of Cancer
por: Beljkas, Milan, et al.
Publicado: (2023)

Discovery of 1-Benzhydryl-Piperazine-Based HDAC Inhibitors with Anti-Breast Cancer Activity: Synthesis, Molecular Modeling, In Vitro and In Vivo Biological Evaluation
por: Ruzic, Dusan, et al.
Publicado: (2022)

Drug Design for CNS Diseases: Polypharmacological Profiling of Compounds Using Cheminformatic, 3D-QSAR and Virtual Screening Methodologies
por: Nikolic, Katarina, et al.
Publicado: (2016)

Editorial: In silico Methods for Drug Design and Discovery
por: Brogi, Simone, et al.
Publicado: (2020)

SIRT2i_Predictor: A Machine Learning-Based Tool to Facilitate the Discovery of Novel SIRT2 Inhibitors
por: Djokovic, Nemanja, et al.
Publicado: (2023)

Synthesis, Molecular Docking and Anticancer Activity of Diflunisal Derivatives as Cyclooxygenase Enzyme Inhibitors
por: Coşkun, Göknil Pelin, et al.
Publicado: (2018)

Design, synthesis, anticancer and in silico assessment of 8-caffeinyl-triazolylmethoxy hybrid conjugates
por: Soltani Rad, Mohammad Navid, et al.
Publicado: (2023)

Design, synthesis, in silico docking, ADMET and anticancer evaluations of thiazolidine-2,4-diones bearing heterocyclic rings as dual VEGFR-2/EGFR(T790M) tyrosine kinase inhibitors
por: Aziz, Nada A. A. M., et al.
Publicado: (2022)

Design, synthesis, anticancer and in silico assessment of 8-piperazinyl caffeinyl-triazolylmethyl hybrid conjugates
por: Soltani Rad, Mohammad Navid, et al.
Publicado: (2023)

In silico approach: biological prediction of nordentatin derivatives as anticancer agent inhibitors in the cAMP pathway
por: Abdjan, Muhammad Ikhlas, et al.
Publicado: (2020)

Design, synthesis, anticancer evaluation, and in silico ADMET analysis of novel thalidomide analogs as promising immunomodulatory agents
por: Kotb, Anas Ramadan, et al.
Publicado: (2023)

In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts
por: Yang, Hongbin, et al.
Publicado: (2018)

Molecular design of anticancer drugs from marine fungi derivatives
por: Cao, Duc Tuan, et al.
Publicado: (2021)

Corrigendum: In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts
por: Yang, Hongbin, et al.
Publicado: (2018)

Study of the anticancer effect of new quinazolinone hydrazine derivatives as receptor tyrosine kinase inhibitors
por: Mortazavi, Motahareh, et al.
Publicado: (2022)

Recent developments in anticancer kinase inhibitors based on the pyrazolo[3,4-d]pyrimidine scaffold
por: Baillache, Daniel J., et al.
Publicado: (2020)

Synthesis, biological evaluation and in silico investigations of benzotriazole derivatives as potential inhibitors of NIMA related kinase
por: Qadri, Tahir, et al.
Publicado: (2023)

Rational Drug Design of Axl Tyrosine Kinase Type I Inhibitors as Promising Candidates Against Cancer
por: Sarukhanyan, Edita, et al.
Publicado: (2020)

Bistable Photoswitch Allows in Vivo Control of Hematopoiesis
por: Albert, Lea, et al.
Publicado: (2021)

Design, synthesis and in silico studies of new quinazolinone derivatives as antitumor PARP-1 inhibitors
por: Ramadan, Sayed K., et al.
Publicado: (2020)

Five and six membered heterocyclic rings endowed with azobenzene as dual EGFR(T790M) and VEGFR-2 inhibitors: design, synthesis, in silico ADMET profile, molecular docking, dynamic simulation and anticancer evaluations
por: Anwer, Kurls E., et al.
Publicado: (2023)

Uracil derivatives as HIV-1 capsid protein inhibitors: design, in silico, in vitro and cytotoxicity studies
por: Ramesh, Deepthi, et al.
Publicado: (2022)

Several coumarin derivatives and their Pd(ii) complexes as potential inhibitors of the main protease of SARS-CoV-2, an in silico approach
por: Milenković, Dejan A., et al.
Publicado: (2020)

Challenges in natural product-based drug discovery assisted with in silico-based methods
por: Simoben, Conrad V., et al.
Publicado: (2023)

Design, synthesis, bio-evaluation, and in silico studies of some N-substituted 6-(chloro/nitro)-1H-benzimidazole derivatives as antimicrobial and anticancer agents
por: Pham, Em Canh, et al.
Publicado: (2022)

In silico Guided Drug Repurposing: Discovery of New Competitive and Non-competitive Inhibitors of Falcipain-2
por: Alberca, Lucas N., et al.
Publicado: (2019)

Identification of selective protein–protein interaction inhibitors using efficient in silico peptide-directed ligand design
por: Beekman, Andrew M., et al.
Publicado: (2019)

Selenazolyl-hydrazones as Novel Selective MAO Inhibitors With Antiproliferative and Antioxidant Activities: Experimental and In-silico Studies
por: Elshaflu, Hana, et al.
Publicado: (2018)

3,4,3′-Tri-O-methylellagic acid as an anticancer agent: in vitro and in silico studies
por: Wardana, Andika Pramudya, et al.
Publicado: (2022)

N,2,6-Trisubstituted 1H-benzimidazole derivatives as a new scaffold of antimicrobial and anticancer agents: design, synthesis, in vitro evaluation, and in silico studies
por: Pham, Em Canh, et al.
Publicado: (2022)

In silico drug discovery of SIRT2 inhibitors from natural source as anticancer agents
por: Ibrahim, Mahmoud A. A., et al.
Publicado: (2023)

On the Integration of In Silico Drug Design Methods for Drug Repurposing
por: March-Vila, Eric, et al.
Publicado: (2017)

A review on in silico virtual screening methods in COVID-19 using anticancer drugs and other natural/chemical inhibitors
por: Sokouti, Babak
Publicado: (2023)

Design, synthesis, docking study and anticancer evaluation of new trimethoxyphenyl pyridine derivatives as tubulin inhibitors and apoptosis inducers
por: Hagras, Mohamed, et al.
Publicado: (2021)

In vitro and in silico determination of glutaminyl cyclase inhibitors
por: Tran, Phuong-Thao, et al.
Publicado: (2019)

Design, synthesis and in silico screening of benzoxazole–thiazolidinone hybrids as potential inhibitors of SARS-CoV-2 proteases
por: Krishna Cheerala, Vijay Sai, et al.
Publicado: (2021)

Function through bio-inspired, synthesis-informed design: step-economical syntheses of designed kinase inhibitors
por: Wender, Paul A., et al.
Publicado: (2014)

Cannot write session to /tmp/vufind_sessions/sess_lkncgh9hh0nqdhso46uic1viot