The objective of this chapter is to summarize and evaluate some of the most common chemoinformatic methods that are applied to the analysis of high-throughput-screening data. The chapter will briefly describe current ...
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The objective of this chapter is to summarize and evaluate some of the most common chemoinformatic methods that are applied to the analysis of high-throughput-screening data. The chapter will briefly describe current high-throughput-screening practices and will stress how the major constraint on the application of chemoinformatics is often the quality of high-throughput-screening data. Discussion of the NCI dataset and how it differs from most high-throughputscreening datasets will be made to highlight this point. less
Environmental Chemistry is a subject which studies 1)properties,reactions and effects of chemicals that occur in natural places,***,soil,water and etc.;2)methods and chemical principle of controlling the effects[1]. I...
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Environmental Chemistry is a subject which studies 1)properties,reactions and effects of chemicals that occur in natural places,***,soil,water and etc.;2)methods and chemical principle of controlling the effects[1]. In general,it involves three parts:analysis and detection of pollutions;chemical mechanisms about environmental pollutions at molecule level;chemical principles about chemical,physiochemical and biochemical protection technologies[2].
In Malawi, ethnobotanical surveys have been carried out on the plants used to treat or manage allergies and their symptoms. However, studies focusing on information analysis such as systematic reviews of anti-allergic...
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In Malawi, ethnobotanical surveys have been carried out on the plants used to treat or manage allergies and their symptoms. However, studies focusing on information analysis such as systematic reviews of anti-allergic plants and natural products are not yet published. This review highlighted and analysed data of potential anti-allergic medicinal plants used in Malawi in order to discover potential treatments for allergies through various approaches and improve well-being of people. Literature search strategy was used to collect data of medicinal plants. chemoinformatics analysis was applied to compile associated natural products and to profile the physicochemical properties (drug-likeness and fingerprint diversity) with references to 60 antihistamine 1 drugs (H1R drugs) and 277 anti-H1 receptor inhibitors. Sixty (60) medicinal plants from 36 families out of 645 reported plant species had information of diseases or symptoms of allergies. The Malawian Natural Products (MNP) data set composed of 1757 unique compounds was compiled for the first time from 39 of 60 medicinal plants and approximately 48.9 % and 45.3 % of the compounds did not violate Lipinski and Veber drug-like rules respectively. Chemical space mapping revealed that compounds from Malawian medicinal plants are structurally diverse and share a small space with antihistamine compounds and drugs. This information is useful in exploring other anti-allergy biological mechanisms for natural products. Similarity screening identified usambarine (CID442121), which is structurally similar to 2,8Dimethyl-5-(2-pyrazine-2-ylethyl)-gamma-carboline (CHEMBL1783970) and 29 other antihistamine compounds. The results will be used as a baseline for further studies which may eventually lead to the discovery of potential allergy treatments through various approaches. This could improve health and well-being of people which is in line with goal number 3 of Sustainable Development Goals, Africa's Union's Agenda 2063 and Nationa
chemoinformatics is an independent inter-discipline with a broad impact in drug design and discovery, medicinal chemistry, biochemistry, analytical and organic chemistry, natural products, and several other areas in c...
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chemoinformatics is an independent inter-discipline with a broad impact in drug design and discovery, medicinal chemistry, biochemistry, analytical and organic chemistry, natural products, and several other areas in chemistry. Through collaborations, scientific exchanges, and participation in international research networks, Latin American scientists have contributed to the development of this subject. The aim of this perspective is to discuss the status and progress of the chemoinformatic discipline in Latin America. We team up to provide an authors perspective on the topics that have been investigated and published over the past twelve years, collaborations tween Latin America researchers and others worldwide, contributions to open-access chemoinformatic tools as web servers, and educational-related resources and events, such as scientific conferences. We conclude linking and fostering collaboration within each nation as well as among other Latin American nations and ally is made possible by open science and the democratization of science. We also outline strategic actions can boost the development and practice of chemoinformatic in the region and enhance the interaction between Latin American countries and the rest of the world.
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