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54 articles for “Drug Design”
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Research ArticleOpen accessPhrase in the titleUnbalance Quantitative Structure Activity Relationship Problem Reduction in Drug DesignD. Pugazhenthi, S. P. RajagopalanProblem statement: Activities of drug molecules can be predicted by Quantitative Structure Activity Relationship (QSAR) models, which overcome the disadvantage of high cost and long cycle by employing traditional experimental methods. With the fact that number of drug molecules with positive activity is rather fewer than that with negatives, it is important to predict molecular activities considering such an unbalanced … …Journal of Computer Science, Vol. 5, Issue 10 · 31 Oct 2009 · 6,704 accessesView PDFCite
Research ArticleOpen accessIn the keywordsThe Construction of Two and Three Dimensional Molecular Models for the miR-31 and Its Silencer as the Triple Negative Breast Cancer BiomarkersArli Aditya ParikesitThe Triple Negative Breast Cancer (TNBC) is considered as the most difficult Breast Cancer type to be medicated. So far, the acceptable medication and diagnostics measure are based upon the proteomics-world view, especially with utilizing the natural products and their derivatives as drug candidates. However, as the transcriptomics-studies are getting more advanced, the research on non-coding (nc)RNA is being considered … …OnLine Journal of Biological Sciences, Vol. 18, Issue 4 · 18 Oct 2018 · 7,772 accessesView PDFCite
Research ArticleOpen accessIn the keywordsTen Bioinformatics Tools for Single Nucleotide Polymorphisms DetectionMahin Ghorbani, Hamed KarimiSingle Nucleotide Polymorphisms (SNPs) as unique genetic variations are widely used as biomarkers for drug designing and development for individualized therapy. SNP genotyping techniques such as SBE with MS detection, SBE with fluorescence intensity detection, The FP-TDI, Pyrosequencing and The TaqMan 5’ nuclease assay are low-speed, time consuming and very expensive. To overcome such disadvantages, bioinformatics tools are emerged as … …Current Research in Bioinformatics, Vol. 3, Issue 2 · 10 Apr 2015 · 17,728 accessesView PDFCite
Research ArticleOpen accessIn the keywordsIdentification of Pharmacological Targets Combining Docking and Molecular Dynamics SimulationsIlizaliturri-Flores Ian, Rosas-Trigueros Jorge Luis, Carrillo-Vazquez Jonathan Pablo et al.Studies that include both experimental data and computational simulations (in silico) have increased in number because the techniques are complementary. In silico methodologies are currently an essential component of drug design; moreover, identification and optimization of the best ligand based on the structures of biomolecules are common scientific challenges. Geometric structural properties of biomolecules explain their behavior and interactions and … …American Journal of Agricultural and Biological Sciences, Vol. 8, Issue 1 · 21 Mar 2013 · 8,128 accessesView PDFCite
Research ArticleOpen accessIn the abstractIn silico and in vitro Structural Analysis on the Interaction of Calmodulin and Calmodulin-Binding Motif of FKBP35 from Plasmodium knowlesiSazlinawatie Aladin, Cahyo Budiman et al.FK506-binding protein 35 (FKBP35) is a peptidyl-prolyl cis-trans isomerase found in Plasmodium knowlesi, a zoonotic malaria parasite responsible for concerning cases of malaria infection in East Malaysia. This protein contains a segment known as the calmodulin-binding motif (Pk-CBM), which is predicted to facilitate interaction with calmodulin from P. knowlesi (Pk-CaM). Although this interaction is considered promising for future antimalarial drug … …OnLine Journal of Biological Sciences, Vol. 25, Issue 2 · 10 Mar 2025 · 4,846 accessesView PDFCite
Research ArticleOpen accessIn the abstractSemSimp: A Parametric Method for Evaluating the Semantic Similarity of Digital ResourcesAntonio De Nicola, Anna Formica, Ida Mele, Francesco TaglinoAbioui, H., Idarrou, A., Bouzit, A., & Mammass, D. (2018). Towards a Novel and Generic Approach for OWL Ontology Weighting. Procedia Computer Science, 127, 426–435. https://doi.org/10.1016/j.procs.2018.01.140 Adhikari, A., Dutta, B., Dutta, A., Mondal, D., & Singh, S. (2018). An intrinsic information content-based semantic similarity measure considering the disjoint common subsumers of concepts of an ontology. Journal of the Association for … …Journal of Computer Science, Vol. 20, Issue 8 · 27 May 2024 · 5,773 accessesView PDFCite
Research ArticleOpen accessIn the abstractGenetic Diversity and Drug Resistance of Mycobacterium tuberculosis Complex Isolates and Nontuberculous Mycobacteria Identification from Presumptive Tuberculosis Cases in Oaxaca, MexicoNakamura-Lopez Yuko, Valencia-Carmona Oscar Daniel, Martinez-Cruz Perla Monica et al.Tuberculosis (TB) is a re-emerging health problem worldwide. In Mexico, information about genetic diversity and drug resistance of Mycobacterium Tuberculosis complex (MTBc) is limited. Samples from 463 Presumptive TB cases were tested for TB by smear, culture and PCR, from which 19.2% were identify as MTBc and 16% as nontuberculous mycobacteria. MTBc isolates were characterized by Large Sequence Polymorphisms (LSPs), … …American Journal of Infectious Diseases, Vol. 16, Issue 1 · 9 Feb 2020 · 7,159 accessesView PDFCite
Review ArticleOpen accessIn the abstractMicrobial Degradation of Paracetamol in Pharmaceutical Wastewater: A ReviewYahya Seun Yisau, Naeif Hamoud Al-Makishah, Mohamed Abou El-Fetouh BarakatParacetamol (4′-hydroxyacetanilide or N-acetyl-p-aminophenol or Acetaminophen) is an analgesic and antipyretic over-the-counter commonly used drug. Paracetamol has been detected in, surface waters, wastewater, and drinking water globally because of its significant utilization and unregulated release into the surroundings which have been a great concern and require an urgent approach. Microbial degradation of paracetamol is considered a desirable choice because of … …American Journal of Environmental Sciences, Vol. 20, Issue 1 · 3 Aug 2024 · 6,917 accessesView PDFCite
Research ArticleOpen accessIn the abstractATLCEP: A New Integrated Design that Encompasses the Safety and Efficacy Objectives of Phase I/II TrialsRevathi Ananthakrishnan, Stephanie Green, Mark Chang et al.Several designs, such as designs to find the optimal biological dose, the Eff-Tox design and seamless Phase I/II designs, have been proposed to evaluate both drug toxicity and efficacy as alternatives to the traditional paradigm of a stepwise drug development approach. Here, we first examine the effect of sample and cohort size on the accuracy of dose selection in early … …Current Research in Biostatistics, Vol. 7, Issue 2 · 7 Apr 2018 · 7,980 accessesView PDFCite
EditorialOpen accessIn the abstractFocalize the Structure of Myd88 in TLR Signaling Pathway to Modulate Innate Immune Response: New Target for Old DiseasesShuai Xing, Ping ZhouAll diseases have their Achilles’ Heel to target and this is especially true for immunorelated diseases which must be treated by targeting the immune system somewhere and somehow correctly. In the most recent decade, immunologists recognized that the Toll-Like Receptor (TLR) signaling pathway in innate immune system plays a double-edged role in the pathogenesis of many notorious diseases. Although the … …American Journal of Immunology, Vol. 13, Issue 3 · 6 Sep 2017 · 7,862 accessesView PDFCite