[PDF] Top 20 Drug design for hemagglutinin: Screening and molecular dynamics from traditional Chinese medicine database
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Drug design for hemagglutinin: Screening and molecular dynamics from traditional Chinese medicine database
... pandemic and resulted in more than 18,000 deaths over the world as dated on August ...glycoprotein, hemagglutinin, holds a critical role in mediating viral entry into host ...available hemagglutinin ... See full document
10
Drug Design for mPGES-1 from Traditional Chinese Medicine Database: A Screening, Docking, QSAR, Molecular Dynamics, and Pharmacophore Mapping Study
... selected for further analyses using QSAR and molecular dynamics ...CoMFA and CoMSIA models investigated had high non-cross-validation coefficient of r 2 of ...0.960 and 0.719 ... See full document
13
Virtual Screening and Drug Design for PDE-5 Receptor from Traditional Chinese Medicine Database
... traditional Chinese medicine, Epimedium ...virtual screening of traditional Chinese medicine (TCM) database and docking analyses to identify ... See full document
3
Discovery of Novel Insomnia Leads from Screening Traditional Chinese Medicine Database
... acid, and Mumefural, with dual binding properties for GABA and BZ binding ...GABA and Zolpidem, presenting a unique opportunity to develop dual acting drugs for ...need for ... See full document
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Discovery of novel insomnia leads from screening traditional Chinese medicine database
... acid, and Mumefural, with dual binding properties for GABA and BZ binding ...GABA and Zolpidem, presenting a unique opportunity to develop dual acting drugs for ...need for ... See full document
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TCM Database@Taiwan: The World’s Largest Traditional Chinese Medicine Database for Drug Screening In Silico
... computer-aided drug design ...toward traditional Chinese medicine (TCM) for novel lead ...small molecular structure database of TCM available for virtual ... See full document
5
Drug Discovery for DNA Break Repair System by Screening from TCM Database and Molecular Dynamics Approach
... search for novel anti-tumour agents targeting non-homologous end joining pathway, we conducted a virtual screening using traditional Chinese medicine (TCM) on Ku heterodimer which plays ... See full document
8
Potent Inhibitor Design Against H1N1 Swine influenza: Structure-based and molecular dynamics analysis for M2 inhibitors from traditional Chinese medicine database
... search for new anti-influenza compounds, we performed molecular dock- ing and molecular dynamics simulation to identify potential traditional Chinese medicine (TCM) ... See full document
12
iSMART: An Integrated Cloud Computing Web Server for Traditional Chinese Medicine for Online Virtual Screening, de novo Evolution and Drug Design
... Introduction Traditional medicines and herbal medicines, while having different approaches from conventional western medicine, have been recognized worldwide for their therapeutic ... See full document
8
Drug Design of Novel Hemagglutinin Inhibitors for H1N1 Influenza virus from TCM Database
... Novel hemagglutinin inhibitors for H1N1 influenza virus screening from TCM database Tung-Ti Chang a,b† , Mao-Feng Sun a,c† , Hsin-Yi Chen d , Fuu-Jen Tsai d,e , Mark Fisher f , ... See full document
9
Computational screening and design of traditional Chinese medicine (TCM) to block phosphodiesterase-5
... designed from ES, CM, and SC. From docking and pharmacophore analysis, the potent candidates among ES, CM, and SC were ...SC03, and ES03b were predicted to have high potencies ... See full document
3
Stroke Prevention by traditional Chinese medicine A genetic algorithm, support vector machine and molecular dynamics approach
... compounds from TCM Database were docked into the binding site of PDE4D which was defined by the volume of RS-25344 present in the initial crystal ...RS-25344 and cAMP, the normal substrate for ... See full document
8
Pharmacological chaperone design for reducing risk factor of Parkinson’s disease from traditional Chinese medicine
... Results and discussion 3.1. Docking analysis of database screening Docking result of TCM database screening were determined by Dock score and ADMET predictions, top candidates ... See full document
32
High performance screening, structural and molecular dynamics analysis to identify H1 inhibitors from TCM Database@Taiwanw
... N1, and N2. The notorious H1N1 strain is comprised of H1 and N1 ...critical for viruses to attach to host cell membranes for ...domain and incorporation into host cells via HA2-mediated ... See full document
9
Lead Screening for Chronic Obstructive Pulmonary Disease of IKK2 Inhibited by Traditional Chinese Medicine
... distribution, and reproduction in any medium, provided the original work is properly ...disease and is frequently found in well-developed countries due to the issue of aging ...normal and eventually ... See full document
17
iScreen: world's first cloud-computing web server for virtual screening and de novo drug design based on TCM database@Taiwan
... on traditional Chinese medicine (TCM) have greatly intrigued pharma- ceutical industries ...of drug development, we constructed a cloud- computing system for TCM intelligent ... See full document
7
Drug Design for Neuropathic Pain Regulation from Traditional Chinese Medicine
... Guineensine and the control were both predicted to have higher bioactivities than the shorter Retrofractamide ...Guineensine and the control that were not observed in Retrofractamide ...Tyr272, and ... See full document
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Computational screening and design of traditional Chinese medicine (TCM) to block phosphodiesterase-5
... CM, and SC were screened. SC01, SC03, and ES03b were predicted to have high potencies based on MLR analysis and high docking ...Additionally, from our analysis, we make the follow conclusion ... See full document
2
TCMGeneDIT: a database for associated traditional Chinese medicine, gene and disease information using text mining
... a database, TCM- GeneDIT, providing associations about TCMs, genes, dis- eases, effects and ingredients, and relations between TCM effects and effecters from vast amount of biomedical ... See full document
11
Acoustic Features for Identifying Constitutions in Traditional Chinese Medicine
... methods for constitutional identification, this study attempted to identify acoustic features for the eight abnormal ...group and high-score group for six of the abnormal constitutions, namely ... See full document
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