2010
DOI: 10.2174/138161210791164054
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Computer Techniques for Drug Development from Thai Traditional Medicine

Abstract: Thailand has a vast number of plant species. Up to 3000 of them are believed by traditional Thai medicine to possess some biological activity with which researchers have attempted for many years to identify and formulate new drugs. Many chemical compounds from Thai plant species are identified and tested for biological activity that may enable them to be declared lead compounds in drug discovery. Modern methods of drug discovery are rarely used to rationalize and speed-up the process. Within this decade, the f… Show more

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Cited by 7 publications
(7 citation statements)
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“…Molecular docking provided a prioritized listing of chemicals with potential affinity for PMK, with chemicals selected from two chemical collections, an inhouse collection of synthetic compounds, and Chemiebase[25, 26], a Thai natural product collection. Hits were identified from each chemical source and experimentally validated using NMR 1 H- 15 N HSQC and fluorescence experiments.…”
Section: Discussionmentioning
confidence: 99%
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“…Molecular docking provided a prioritized listing of chemicals with potential affinity for PMK, with chemicals selected from two chemical collections, an inhouse collection of synthetic compounds, and Chemiebase[25, 26], a Thai natural product collection. Hits were identified from each chemical source and experimentally validated using NMR 1 H- 15 N HSQC and fluorescence experiments.…”
Section: Discussionmentioning
confidence: 99%
“…[25, 26] Before docking, ligands were adjusted to the proper protonation state at pH 7.4 by Pipeline Pilot, ver. 7.4 [27], and three-dimensional structures were calculated using Corina.…”
Section: Methodsmentioning
confidence: 99%
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“…Continued efforts have been made on discovering new inhibitors that target not only RT, PT, IN and the transmembrane glycoprotein gp41, but also other viral targets, achievements on which have been reviewed comprehensively in literatures (Citterio & Rusconi, 2007;Hazuda et al, 2009;Mastrolorenzo et al, 2007;Qian et al, 2009;Ravichandran et al, 2008;Stanic & Grana, 2009;Tan et al, 2010). Computer-aided drug design (CADD) is a rapidly evolving field to provide novel approaches for satisfying the needs of drug discovery (Durrant & McCammon, 2010;Sangma et al, 2010). By employing CADD or a combination of experiments and computational methods, a lot of novel inhibitors have been discovered that can inhibit HIV replication by interacting with the specific target(s).…”
Section: Introductionmentioning
confidence: 99%
“…Thai medicinal database (Chemiebase12,13) compounds were the source of various scaffolds for virtual screening (AutoDock 4.0)14 and pharmacokinetic and toxicity filtering (Discovery Studio, Accelrys) 15. The Chemiebase covers the herbs in Thai Traditional Pharmacopoeias and the herbs used by the local practitioners for the preparation of traditional medicines.…”
mentioning
confidence: 99%