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Oncoinformatic screening of the gene clusters involved in the HER2-positive breast cancer formation along with the in silico pharmacodynamic profiling of selective long-chain omega-3 fatty acids as the metastatic antagonists.

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This article is published in Molecular Diversity.The article was published on 2022-11-29. It has received 6 citations till now. The article focuses on the topics: Medicine & Lapatinib.

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Study of MDM2 as Prognostic Biomarker in Brain-LGG Cancer and Bioactive Phytochemicals Inhibit the p53-MDM2 Pathway: A Computational Drug Development Approach

TL;DR: In this article , an evaluation of the expression and predictive significance of the MDM2 gene in brain lower grade glioma (LGG) cancer was carried out using onco-informatics pipelines.
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Molecular Dynamics Simulation and Pharmacoinformatic Integrated Analysis of Bioactive Phytochemicals from Azadirachta indica (Neem) to Treat Diabetes Mellitus

TL;DR: In this article , the in-silico analysis revealed that 7-Deacetyl-7-oxogedunin had the highest negative docking score of −8.9 Kcal/mol and also demonstrated standard stability in a 100-ns molecular dynamic simulation performed with insulin receptor ectodomain.
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Phyllanthus emblica (Amla) methanolic extract regulates multiple checkpoints in 15-lipoxygenase mediated inflammopathies: Computational simulation and in vitro evidence

TL;DR: Amla (Phyllanthus emblica) has been used in traditional folk medicine to prevent and cure a variety of inflammatory diseases as discussed by the authors , which has been shown to have significant antioxidant, anti-inflammatory, and anticoagulation activity.
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Wireless Power System for Video Capsule Endoscopes: Design, Development, Implementation, and Analysis

TL;DR: In this article , the authors used a wireless means to power the Video Capsule Endoscope (VCE) using inductive magnetic coupling, in which the transmitting circuit generates a magnetic field and the receiving circuit, located inside the VCE, receives AC power by electromagnetic induction.
References
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SwissADME: A free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

TL;DR: The new SwissADME web tool is presented that gives free access to a pool of fast yet robust predictive models for physicochemical properties, pharmacokinetics, drug-likeness and medicinal chemistry friendliness, among which in-house proficient methods such as the BOILED-Egg, iLOGP and Bioavailability Radar are presented.
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CASTp: Computed Atlas of Surface Topography of proteins

TL;DR: Computed Atlas of Surface Topography of proteins (CASTp) provides an online resource for locating, delineating and measuring concave surface regions on three-dimensional structures of proteins, including pockets located on protein surfaces and voids buried in the interior of proteins.
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Understanding survival analysis: Kaplan-Meier estimate.

TL;DR: The Kaplan-Meier estimate is one of the best options to be used to measure the fraction of subjects living for a certain amount of time after treatment and can be used in Ayurveda research when they are comparing two drugs and looking for survival of subjects.
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Accurate prediction of the relative potencies of members of a series of kinase inhibitors using molecular docking and MM-GBSA scoring.

TL;DR: The ability of molecular docking, using the program Glide and an MM-GBSA postdocking scoring protocol, to correctly rank a number of congeneric kinase inhibitors was assessed and suggests that this may be useful for the design of inhibitors in the lead optimization phase of drug discovery.
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