Cargando…

Molecular dynamics simulation and docking analysis of NF-κB protein binding with sulindac acid

It is of interest to document the Molecular Dynamics Simulation and docking analysis of NF-κB target with sulindac sodium in combating COVID-19 for further consideration. Sulindac is a nonsteroidal anti-inflammatory drug (NSAID) of the arylalkanoic acid class that is marketed by Merck under the bran...

Descripción completa

Detalles Bibliográficos
Autores principales:	Ahmad, Shaban, Bhanu, Piyush, Kumar, Jitendra, Pathak, Ravi Kant, Mallick, Dharmendra, Uttarkar, Akshay, Niranjan, Vidya, Mishra, Vachaspati
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Biomedical Informatics 2022
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9722428/ https://www.ncbi.nlm.nih.gov/pubmed/36518123 http://dx.doi.org/10.6026/97320630018170

Ejemplares similares

Repurposing of known drugs for COVID-19 using molecular docking and simulation analysis
por: Bhanu1, Piyush, et al.
Publicado: (2023)

Protocol for the development of coarse-grained structures for macromolecular simulation using GROMACS
por: Niranjan, Vidya, et al.
Publicado: (2023)

Structural insights on the interaction potential of natural leads against major protein targets of SARS-CoV-2: Molecular modelling, docking and dynamic simulation studies
por: Skariyachan, Sinosh, et al.
Publicado: (2021)

Identification of EPAC (Exchange Protein Activated by cAMP) bioinformatically as a potential signalling biomarker in Cardiovascular Disease (CVD) and its molecular docking by a lead molecule
por: Bala, Saranya, et al.
Publicado: (2011)

Sulindac activates NF-κB signaling in colon cancer cells
por: Mladenova, Dessislava, et al.
Publicado: (2013)

Design of Novel Coumarin Derivatives as NUDT5 Antagonists That Act by Restricting ATP Synthesis in Breast Cancer Cells
por: Niranjan, Vidya, et al.
Publicado: (2022)

An Overview of Some Biopesticides and Their Importance in Plant Protection for Commercial Acceptance
por: Kumar, Jitendra, et al.
Publicado: (2021)

Mycobacterium Time-Series Genome Analysis Identifies AAC2′ as a Potential Drug Target with Naloxone Showing Potential Bait Drug Synergism
por: Niranjan, Vidya, et al.
Publicado: (2022)

Structural and molecular basis of the interaction mechanism of selected drugs towards multiple targets of SARS-CoV-2 by molecular docking and dynamic simulation studies- deciphering the scope of repurposed drugs
por: Skariyachan, Sinosh, et al.
Publicado: (2020)

Molecular Docking and Interaction Studies of Identified Abscisic Acid Receptors in Oryza sativa: An In-Silico Perspective on Comprehending Stress Tolerance Mechanisms
por: Niranjan, Vidya, et al.
Publicado: (2021)

Carbon fullerene and nanotube are probable binders to multiple targets of SARS-CoV-2: Insights from computational modeling and molecular dynamic simulation studies
por: Skariyachan, Sinosh, et al.
Publicado: (2021)

Sulindac inhibits tumor cell invasion by suppressing NF-κB mediated transcription of microRNAs
por: Li, Xiaobo, et al.
Publicado: (2012)

De Novo Design of Anti-COVID Drugs Using Machine Learning-Based Equivariant Diffusion Model Targeting the Spike Protein
por: Niranjan, Vidya, et al.
Publicado: (2023)

Chemoprevention of Colon Cancer by DFMO, Sulindac, and NO-Sulindac Administered Individually or in Combinations in F344 Rats
por: Madka, Venkateshwar, et al.
Publicado: (2023)

Scope of repurposed drugs against the potential targets of the latest variants of SARS-CoV-2
por: Niranjan, Vidya, et al.
Publicado: (2022)

Correction to: Scope of repurposed drugs against the potential targets of the latest variants of SARS-CoV-2
por: Niranjan, Vidya, et al.
Publicado: (2022)

Sulindac for stroke treatment: neuroprotective mechanism and therapy
por: Modi, Jigar Pravinchandra, et al.
Publicado: (2014)

Amine Containing Analogs of Sulindac for Cancer Prevention
por: Mathew, Bini, et al.
Publicado: (2018)

Oxazole and thiazole analogs of sulindac for cancer prevention
por: Mathew, Bini, et al.
Publicado: (2018)

Sulindac plus a phospholipid is effective for polyp reduction and safer than sulindac alone in a mouse model of colorectal cancer development
por: Davis, Jennifer S., et al.
Publicado: (2020)

Stress-Induced Detoxification Enzymes in Rice Have Broad Substrate Affinity
por: Niranjan, Vidya, et al.
Publicado: (2021)

Comparative molecular docking analysis of the SARS CoV-2 Spike glycoprotein with the human ACE-2 receptors and thrombin
por: Bhanu, Piyush, et al.
Publicado: (2020)

Sulindac Enhances the Killing of Cancer Cells Exposed to Oxidative Stress
por: Marchetti, Maria, et al.
Publicado: (2009)

Sulindac Prevents Esophageal Adenocarcinomas Induced by Gastroduodenal Reflux in Rats
por: Kim, Sung Wook, et al.
Publicado: (2007)

A Desmoid Tumor Responding to Systemic Therapy With Tamoxifen and Sulindac
por: Choudhury, Hasan, et al.
Publicado: (2023)

Sulindac metabolites inhibit epidermal growth factor receptor activation and expression
por: Pangburn, Heather A, et al.
Publicado: (2005)

Combination of Sulindac and Dichloroacetate Kills Cancer Cells via Oxidative Damage
por: Ayyanathan, Kasirajan, et al.
Publicado: (2012)

Analysis of the Dissolution Mechanism of Drugs into Polymers: The Case of the PVP/Sulindac System
por: Latreche, Mansour, et al.
Publicado: (2023)

Sulindac derivatives inhibit cell growth and induce apoptosis in primary cells from malignant peripheral nerve sheath tumors of NF1-patients
por: Frahm, Silke, et al.
Publicado: (2004)

Combination oral antiangiogenic therapy with thalidomide and sulindac inhibits tumour growth in rabbits
por: Verheul, H M W, et al.
Publicado: (1999)

Selenium and sulindac are synergistic to inhibit intestinal tumorigenesis in Apc/p21 mice
por: Bi, Xiuli, et al.
Publicado: (2013)

Synergistic cytotoxic effect of sulindac and pyrrolidine dithiocarbamate against ovarian cancer cells
por: JAKUBOWSKA-MUĆKA, ANNA, et al.
Publicado: (2012)

Induction of Apoptosis by Sulindac in Azoxymethane‐induced Possible Colonic Premalignant Lesions in Rats
por: Kuno, Toshiya, et al.
Publicado: (2002)

Effects of FMO3 Polymorphisms on Pharmacokinetics of Sulindac in Chinese Healthy Male Volunteers
por: Tang, Yong-Jun, et al.
Publicado: (2017)

Radioprotective Potential of Sulindac Sulfide to Prevent DNA Damage Due to Ionizing Radiation
por: Torabizadeh, Seyedeh Atekeh, et al.
Publicado: (2019)

The effect of sulindac on redox homeostasis and apoptosis-related proteins in melanotic and amelanotic cells
por: Miliński, Maciej, et al.
Publicado: (2023)

Effect of Sulindac Sulfide on Metallohydrolases in the Human Colon Cancer Cell Line HT-29
por: Guillen-Ahlers, Hector, et al.
Publicado: (2011)

Sulindac Derivatives That Activate the Peroxisome Proliferator-activated Receptor γ but Lack Cyclooxygenase Inhibition
por: Felts, Andrew S., et al.
Publicado: (2008)

Curcumin enhances the lung cancer chemopreventive efficacy of phospho-sulindac by improving its pharmacokinetics
por: CHENG, KA-WING, et al.
Publicado: (2013)

Topical phospho-sulindac (OXT-328) is effective in the treatment of non-melanoma skin cancer
por: CHENG, KA WING, et al.
Publicado: (2012)

Cannot write session to /tmp/vufind_sessions/sess_el3betecv579vgpsv8fp8pc8ld