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Basics, types and applications of molecular docking: A review
IP International Journal of Comprehensive and Advanced Pharmacology, 2022 From hit discovery through lead optimization and beyond, computational methods have become an essential part of many drugs development processes. There are typically several steps in the docking process, and each one provides a new level of complexity ...
Keval Y. Raval, Tejas H. Ganatra
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Journal of Molecular Docking, 2021 The Indian Traditional Medicines System has long used Siddha polyherbal formulations for different viral diseases. The ingredients of these formulas have been proven to be antiviral.
Logesh Kumar Selvaraj +3 more
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Molecular docking investigation of anti-inflammatory herbal compounds as potential LOX-5 and COX-2 inhibitors [PDF]
Pharmacia, 2022 According to the World Journal of Gastroenterology, more than 5 million people worldwide suffer from inflammatory bowel disease. The use of phytotherapeutic remedies in treatment of chronic inflammatory processes can be an effective alternative in ...
Liliia Vyshnevska +3 more
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Suitable Docking Protocol for the Design of Novel Coumarin Derivatives with Selective MAO-B Effects
Journal of Molecular Docking, 2021 Recently, the application of molecular docking is drastically increasing due to the rapid growth of resolved crystallographic receptors with co-crystallized ligands. However, the inability of docking softwares to correctly score the occurred interactions
Emilio Viktorov Mateev +3 more
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Review on the use of Molecular Docking as the First Line Tool in Drug Discovery and Development
Indian Journal of Pharmaceutical Sciences, 2022 Molecular docking has now become a novel approach for drug discovery in recent years. Computer-aided drug design is an area that is rapidly growing and has seen many successes. Many big pharmaceutical industries, academic resources and research personnel
R. Sahoo +4 more
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Journal of Molecular Docking, 2022 Lymphatic filariasis and onchocerciasis are two common filarial diseases caused by a group of parasitic nematodes called filarial worms, which co-habit with the bacteria organism Wolbachia.
Fabian Audu Ugbe +3 more
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In Silico Approach: Effect of the Oxidation Iron State (Heme-Group) in Steroidogenesis Pathways
Journal of Molecular Docking, 2022 One of the main design features of enzyme regulators for the CYPs is the presence of a heme-group and different oxidation states in iron atoms. The selective inhibition of a CYP-enzyme can help to reduce the formation of steroidal molecules that causes ...
David Mora-Martinez +4 more
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Enhancement of The Stability of Human Growth Hormone by Using Tris(hydroxymethyl)aminomethane: Molecular Docking and Experimental Analysis [PDF]
Cell Journal, 2021 Objective: It is so difficult to formulate human growth hormone (hGH) in a solution with high stability and new drug delivery system (NDDs) due to physiochemical instability. The purpose of this study was to investigate the possibility of using Tris as
Siyavash Mirzaei +6 more
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Journal of Molecular Docking, 2022 VlsE is the key enzyme in antibacterial and suicide antigenic variation. While the vlsE of Borrelia burgdorferi sensu lato complex causes Lyme disease. Therefore, vlsE is considered a significant drug target for Lyme disease. In this paper, we report the
Venu Paritala +2 more
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Journal of Molecular Docking, 2021 Corona Virus Disease 2019 (COVID-19) is a new strain of coronavirus called SARS-CoV-2, which was identified in Wuhan, China, in December 2019. The rapid transmission of COVID-19 from human to human forced researchers to find a potent drug by setting ...
Baiq Ressa Puspita Rizma +2 more
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