Filters








33 Hits in 9.1 sec

Identification of Potential Inhibitors of MurD Enzyme of Staphylococcus aureus from a Marine Natural Product Library

Xiaoqi Zheng, Tongyu Zheng, Yinglin Liao, Lianxiang Luo
<span title="2021-10-25">2021</span> <i title="MDPI AG"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/dstyyzbt45gknhqqjsh45p55h4" style="color: black;">Molecules</a> </i> &nbsp;
Through virtual screening, similarity screening, ADME study and molecular dynamics simulation, 46604 and 46608 were selected as potential drug candidates for S. aureus.  ...  Because S. aureus is resistant to most existing antibiotics, it is necessary to develop new inhibitors.  ...  Conflicts of Interest: The authors declare that they have no competing interests. Sample Availability: Not applicable.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.3390/molecules26216426">doi:10.3390/molecules26216426</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/34770835">pmid:34770835</a> <a target="_blank" rel="external noopener" href="https://pubmed.ncbi.nlm.nih.gov/PMC8587310/">pmcid:PMC8587310</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/huxi7kjtbjc5vkmrzrdeesqona">fatcat:huxi7kjtbjc5vkmrzrdeesqona</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20211108192555/https://mdpi-res.com/d_attachment/molecules/molecules-26-06426/article_deploy/molecules-26-06426.pdf" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/45/6a/456a76c657cffd3606a1d3001be678dd3c64a6cf.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.3390/molecules26216426"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="unlock alternate icon" style="background-color: #fb971f;"></i> mdpi.com </button> </a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8587310" title="pubmed link"> <button class="ui compact blue labeled icon button serp-button"> <i class="file alternate outline icon"></i> pubmed.gov </button> </a>

Homology modeling, molecular dynamics, and virtual screening of NorA efflux pump inhibitors of Staphylococcus aureus

Bhaskar BV, Babu TMC, Reddy NV, Rajendra W
<span title="">2016</span> <i title="Dove Medical Press"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/fiqgu2g3kfawzan3zs5ni7lrfy" style="color: black;">Drug Design, Development and Therapy</a> </i> &nbsp;
Molecular dynamics (MD) simulation was performed using NAMD2.7 for NorA which is embedded in the hydrated lipid bilayer.  ...  University, Tirupati, Andhra Pradesh, India Abstract: Emerging drug resistance in clinical isolates of Staphylococcus aureus might be implicated to the overexpression of NorA efflux pump which is capable  ...  Back to Journals » Drug Design, Development and Therapy » Volume 10 Homology modeling, molecular dynamics, and virtual screening of NorA efflux pump inhibitors of Staphylococcus aureus Authors  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener" href="https://doaj.org/article/71fdf1ed614b491495a5b17662da6854">doaj:71fdf1ed614b491495a5b17662da6854</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/7xfbxajsqzdlpdzjsqvosocsyy">fatcat:7xfbxajsqzdlpdzjsqvosocsyy</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20220203084329/https://www.dovepress.com/homology-modeling-molecular-dynamics-and-virtual-screening-of-nora-eff-peer-reviewed-fulltext-article-DDDT" title="fulltext access" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [HTML] </button> </a>

QSAR modeling growth inhibitors Pasteurella multocida
QSAR-моделирование ингибиторов роста Pasteurella multocida

В ВАЖЕВ, V. Vazhev, Б МУНАРБАЕВА, B. Munarbaeva, Н ВАЖЕВА, N. Vazheva, М ГУБЕНКО, M. Gubenko
<span title="2019-10-21">2019</span> <i title="Urals State Agrarian University"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/qfqmy22bj5a7ff3ypugfheuagu" style="color: black;">Agrarian Bulletin of the</a> </i> &nbsp;
To solve the problem of bacterial drug resistance, it is proposed to search for and select compounds with antipasteurellosis activity using QSAR (Quantitative Structure-Activity Relationship) methods.  ...  The simulation involved 445 molecular structure descriptors calculated by the Dragon 7 program. The calculations were performed using the PROGROC computer program (PROGgram RObustness Calculation).  ...  Rational design of methicillin resistance Staphylococcus aureus inhibitors through 3D-QSAR, molecular docking and molecular dynamics simulations // Computational Biology and Chemistry. 2018. No. 73.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.32417/article_5daf418d6cdec9.07195643">doi:10.32417/article_5daf418d6cdec9.07195643</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/tenb6wyf4fh2dk3l7rfoeawalq">fatcat:tenb6wyf4fh2dk3l7rfoeawalq</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20200305161032/https://usau.editorum.ru/en/storage/download/40794" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/65/bb/65bb0945d7d079246aac90e8253829c7cfee2213.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.32417/article_5daf418d6cdec9.07195643"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="unlock alternate icon" style="background-color: #fb971f;"></i> Publisher / doi.org </button> </a>

Leveraging Structural Information for the Discovery of New Drugs: Computational Methods [chapter]

Toan B. Nguyen, Sergio E. Wong, Felice C. Lightstone
<span title="2011-12-07">2011</span> <i title="Humana Press"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/6v4flwr6afbfrmhdyu6xe3dyvm" style="color: black;">Msphere</a> </i> &nbsp;
The utilization of microbial genomics (16) for target identification, advances in x-ray crystallography for 3D target-ligand interactions, and exploitation of computational approaches for designing and  ...  However, bacteria, the champions of evolution, have adapted and developed resistance against frontline antibiotics, such as vancomycin, methicillin, fluoroquinolones and macrolides (2-7).  ...  is the secondary target of fluoroquinolones in Staphylococcus aureus.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1007/978-1-61779-520-6_9">doi:10.1007/978-1-61779-520-6_9</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/22222454">pmid:22222454</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/ppujob6ygnh33nrghsesyvxsii">fatcat:ppujob6ygnh33nrghsesyvxsii</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20180723190605/https://digital.library.unt.edu/ark:/67531/metadc871706/m2/1/high_res_d/1117971.pdf" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/bf/a2/bfa221990638206c8bdd803f225473f60ea88d63.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1007/978-1-61779-520-6_9"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="external alternate icon"></i> Publisher / doi.org </button> </a>

The 18th European Symposium on Quantitative Structure–Activity Relationships

Anna Tsantili-Kakoulidou, Dimitris K Agrafiotis
<span title="2011-02-23">2011</span> <i title="Informa Healthcare"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/4m2squtugrdvtgjdvfbz5jhmaq" style="color: black;">Expert Opinion on Drug Discovery</a> </i> &nbsp;
We have recently reported on the CDK1 inhibitory activity of the pyrrolo [2,3-a]carbazole scaffold. 4 Molecular modeling and docking simulation studies explored the CDK1 binding mode of this core and  ...  The authors are also thankful to Biobyte Corp. and Dr Hansch and Dr Leo for their support and free access to the C-QSAR program.  ...  References: [1] Methicillin-resistant Staphylococcus aureus (MRSA), the causative agent of many serious nosocomial and community acquired infections, and other gram-positive organisms can show resistance  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1517/17460441.2011.560604">doi:10.1517/17460441.2011.560604</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/22646021">pmid:22646021</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/tb4bhvtnpzahxm4xba7iw4afuy">fatcat:tb4bhvtnpzahxm4xba7iw4afuy</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20190305135714/http://pdfs.semanticscholar.org/ca7c/c586e46f9dc73e2604c8471e4a52df04f51f.pdf" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/ca/7c/ca7cc586e46f9dc73e2604c8471e4a52df04f51f.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1517/17460441.2011.560604"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="external alternate icon"></i> Publisher / doi.org </button> </a>

Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains

Ilija N. Cvijetić, Tatjana Ž. Verbić, Pedro Ernesto de Resende, Paul Stapleton, Simon Gibbons, Ivan O. Juranić, Branko J. Drakulić, Mire Zloh
<span title="">2018</span> <i title="Elsevier BV"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/gzsdtozdnzdfhp5x7vn5vz6a7a" style="color: black;">European Journal of Medicinal Chemistry</a> </i> &nbsp;
These results and our statistically significant 3D QSAR model could be used to guide the further design of more potent derivatives as well as in virtual screening for novel antibacterial agents.  ...  Aryldiketo acids (ADK) have shown antimicrobial activity against several resistant strains including Gram-positive Staphylococcus Aureus bacteria.  ...  Acknowledgements Ministry of Education, Science, and Technological Development of the Republic of Serbia supported this work, Grant No. 172035.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1016/j.ejmech.2017.10.045">doi:10.1016/j.ejmech.2017.10.045</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/29133041">pmid:29133041</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/yyipcbor3jejjpl3fydvahyriy">fatcat:yyipcbor3jejjpl3fydvahyriy</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20200305160412/http://cer.ihtm.bg.ac.rs/bitstream/handle/123456789/2691/Cvijetic_Design_synthesis_biological_evaluation_revision_final.pdf?sequence=1&amp;isAllowed=y" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/b4/61/b46101f9442df2468c665fe51bf083639586207d.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1016/j.ejmech.2017.10.045"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="external alternate icon"></i> elsevier.com </button> </a>

Resistance-resistant antibiotics

Eric Oldfield, Xinxin Feng
<span title="">2014</span> <i title="Elsevier BV"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/g42waxkykbevjmvnnaupihufay" style="color: black;">TIPS - Trends in Pharmacological Sciences</a> </i> &nbsp;
Although it is not possible to eliminate resistance, the approaches reviewed here offer several possibilities for reducing the effects of mutations and in some cases suggest that sensitivity to existing  ...  New antibiotics are needed because as drug resistance is increasing, the introduction of new antibiotics is decreasing.  ...  Acknowledgments This work was supported in part by the United States Public Health Service (National Institutes of Health grants AI074233, GM065307 and CA158191), a Harriet A.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1016/j.tips.2014.10.007">doi:10.1016/j.tips.2014.10.007</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/25458541">pmid:25458541</a> <a target="_blank" rel="external noopener" href="https://pubmed.ncbi.nlm.nih.gov/PMC4314344/">pmcid:PMC4314344</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/nuhaqvrtojeldedppry37p3qta">fatcat:nuhaqvrtojeldedppry37p3qta</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20200206013259/http://europepmc.org/backend/ptpmcrender.fcgi?accid=PMC4314344&amp;blobtype=pdf" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/f1/bd/f1bd035dba2e519d2bb5763a4562b25f8e2cdb62.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1016/j.tips.2014.10.007"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="external alternate icon"></i> elsevier.com </button> </a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4314344" title="pubmed link"> <button class="ui compact blue labeled icon button serp-button"> <i class="file alternate outline icon"></i> pubmed.gov </button> </a>

Computer-Aided Design of Antimicrobial Peptides: Are We Generating Effective Drug Candidates?

Marlon H. Cardoso, Raquel Q. Orozco, Samilla B. Rezende, Gisele Rodrigues, Karen G. N. Oshiro, Elizabete S. Cândido, Octávio L. Franco
<span title="2020-01-22">2020</span> <i title="Frontiers Media SA"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/67anf6qgandy5adz4rakospiuq" style="color: black;">Frontiers in Microbiology</a> </i> &nbsp;
In addition to machine-learning methods, the de novo design, linguistic model, pattern insertion methods, and genetic algorithms, have shown the potential to boost the automated design of AMPs.  ...  In this context, the computer-aided design of AMPs has put together crucial information on chemical parameters and bioactivities in AMP sequences, thus providing modes of prediction to evaluate the antibacterial  ...  An increasing number of works have used evolutionary and genetic algorithms in combination with NNs, molecular docking, and dynamics as fitness functions for designing AMPs.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.3389/fmicb.2019.03097">doi:10.3389/fmicb.2019.03097</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/32038544">pmid:32038544</a> <a target="_blank" rel="external noopener" href="https://pubmed.ncbi.nlm.nih.gov/PMC6987251/">pmcid:PMC6987251</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/4abi7fnvwzcnpe6mr2rlwm65he">fatcat:4abi7fnvwzcnpe6mr2rlwm65he</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20200211135400/https://fjfsdata01prod.blob.core.windows.net/articles/files/501217/pubmed-zip/.versions/1/.package-entries/fmicb-10-03097/fmicb-10-03097.pdf?sv=2015-12-11&amp;sr=b&amp;sig=%2Fbtp7ambe5VU8SNhMpAjV%2FoSQaFzr47sSXuchFVLJxM%3D&amp;se=2020-02-11T13%3A54%3A30Z&amp;sp=r&amp;rscd=attachment%3B%20filename%2A%3DUTF-8%27%27fmicb-10-03097.pdf" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/ba/5f/ba5fafc9455673b5b7bc06b337be7e46bb76a223.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.3389/fmicb.2019.03097"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="unlock alternate icon" style="background-color: #fb971f;"></i> frontiersin.org </button> </a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6987251" title="pubmed link"> <button class="ui compact blue labeled icon button serp-button"> <i class="file alternate outline icon"></i> pubmed.gov </button> </a>

Perturbation of genome integrity to fight pathogenic microorganisms

Kinga Nyíri, Beáta G. Vértessy
<span title="">2017</span> <i title="Elsevier BV"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/yegcwz2zabgtfmhukigdif7f4u" style="color: black;">Biochimica et Biophysica Acta - General Subjects</a> </i> &nbsp;
17 Background: Resistance against antibiotics is unfortunately still a major biomedical 18 challenge for a wide range of pathogens responsible for potentially fatal diseases.  ...  Inhibitors with better binding affinity than pyrimethamine were identified. [168] 2014 Molecular dynamics simulation of interactions between rigid and flexible antifolates of wild-type and pyrimethamine-resistant  ...  Staphylococcus aureus 386 The first line therapy of community-associated methicillin-resistant Staphylococcus aureus 387 (CA MRSA) is a combined formulation under the brand name Bactrim targeting the folate  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1016/j.bbagen.2016.05.024">doi:10.1016/j.bbagen.2016.05.024</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/27217086">pmid:27217086</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/7xe6x3hgkbfare3kkrdjzd7nou">fatcat:7xe6x3hgkbfare3kkrdjzd7nou</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20180721225745/http://real.mtak.hu/46481/1/BBA_2017_Nyiri_Vertessy.pdf" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/12/2b/122bd111a038b10b6816455b46cabdcc2b32ec3b.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1016/j.bbagen.2016.05.024"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="external alternate icon"></i> elsevier.com </button> </a>

Trimethoprim and other nonclassical antifolates an excellent template for searching modifications of dihydrofolate reductase enzyme inhibitors

Agnieszka Wróbel, Karolina Arciszewska, Dawid Maliszewski, Danuta Drozdowska
<span title="2019-10-02">2019</span> <i title="Springer Science and Business Media LLC"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/nj7bydjxn5cxvhelyis2tjpggu" style="color: black;">Journal of antibiotics (Tokyo. 1968)</a> </i> &nbsp;
This review highlights advances in design, synthesis, and biological evaluations in structural modifications of TMP as DHFR inhibitors.  ...  Dihydrofolate reductase (DHFR) has attracted a lot of attention as a molecular target for bacterial resistance over several decades, resulting in a number of useful agents.  ...  Importantly, molecular docking, dynamic molecular simulations, and pharmacokinetic studies help to identify promising directions for new projects. Recently, Shah et al.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1038/s41429-019-0240-6">doi:10.1038/s41429-019-0240-6</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/31578455">pmid:31578455</a> <a target="_blank" rel="external noopener" href="https://pubmed.ncbi.nlm.nih.gov/PMC7102388/">pmcid:PMC7102388</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/ls6gaehpmvhfhbmae3mjcf7i3y">fatcat:ls6gaehpmvhfhbmae3mjcf7i3y</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20200512063115/http://europepmc.org/backend/ptpmcrender.fcgi?accid=PMC7102388&amp;blobtype=pdf" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/87/d7/87d7f11e7825e53841a3c77c3f705c1f5f0baa93.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1038/s41429-019-0240-6"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="external alternate icon"></i> Publisher / doi.org </button> </a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7102388" title="pubmed link"> <button class="ui compact blue labeled icon button serp-button"> <i class="file alternate outline icon"></i> pubmed.gov </button> </a>

Heterocycle-Based Multicomponent Reactions in Drug Discovery: From Hit Finding to Rational Design

Pau Nadal Rodríguez, Ouldouz Ghashghaei, Andrea Bagán, Carmen Escolano, Rodolfo Lavilla
<span title="2022-06-23">2022</span> <i title="MDPI AG"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/jgmgd4z6dzhzziggcczoforhve" style="color: black;">Biomedicines</a> </i> &nbsp;
activity relationships, the fine tuning of properties, and the preparation of larger amounts for preclinical phases.  ...  We comment on the main results, clustered according to the targets and, finally, in the conclusion section, we offer a general appraisal of the situation and some perspectives regarding future directions  ...  This collection was tested against Escherichia coli, Pseudomonas aeruginosa and several strains of methicillin-resistant Staphylococcus aureus, to find that double adducts 5 were inactive, whereas derivatives  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.3390/biomedicines10071488">doi:10.3390/biomedicines10071488</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/744iem56prg7hgqfdxydbns3fa">fatcat:744iem56prg7hgqfdxydbns3fa</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20220624001211/https://mdpi-res.com/d_attachment/biomedicines/biomedicines-10-01488/article_deploy/biomedicines-10-01488.pdf?version=1655987785" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/21/53/2153448c0da069e68b66af91353a6e95ce960bab.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.3390/biomedicines10071488"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="unlock alternate icon" style="background-color: #fb971f;"></i> mdpi.com </button> </a>

Synthesis of Biologically Active Molecules through Multicomponent Reactions

Insuasty, Castillo, Becerra, Rojas, Abonia
<span title="2020-01-24">2020</span> <i title="MDPI AG"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/dstyyzbt45gknhqqjsh45p55h4" style="color: black;">Molecules</a> </i> &nbsp;
, much of the reported data are organized into concise schemes and tables to facilitate comparison, and to underscore the key points of this review.  ...  Given the diversity of synthetic approaches utilized in MCRs, the highly diverse nature of the biological activities evaluated for the synthesized compounds, and considering their huge structural variability  ...  R.A. thanks COLCIENCIAS and Universidad del Valle for partial financial support of this work. Conflicts of Interest: The authors declare no conflict of interest.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.3390/molecules25030505">doi:10.3390/molecules25030505</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/31991635">pmid:31991635</a> <a target="_blank" rel="external noopener" href="https://pubmed.ncbi.nlm.nih.gov/PMC7038231/">pmcid:PMC7038231</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/qx4l7fwoffes3lc7pbbngomcri">fatcat:qx4l7fwoffes3lc7pbbngomcri</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20200213063913/https://res.mdpi.com/d_attachment/molecules/molecules-25-00505/article_deploy/molecules-25-00505-v2.pdf" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/a3/ab/a3ab12ab75044db5465e627ee6d2a7334fe81717.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.3390/molecules25030505"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="unlock alternate icon" style="background-color: #fb971f;"></i> mdpi.com </button> </a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7038231" title="pubmed link"> <button class="ui compact blue labeled icon button serp-button"> <i class="file alternate outline icon"></i> pubmed.gov </button> </a>

Hantzsch-Type Dihydropyridines and Biginelli-Type Tetra-hydropyrimidines: A Review of their Chemotherapeutic Activities

Saghi Sepehri, Horacio Perez Sanchez, Afshin Fassihi
<span title="2015-01-26">2015</span> <i title="University of Alberta Libraries"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/ww2ye63gh5bijawpch736wxbgi" style="color: black;">Journal of Pharmacy &amp; Pharmaceutical Sciences</a> </i> &nbsp;
However, the lack of a comprehensive literature overview on the chemotherapeutic ability of these scaffolds is behind the present attempt to provide a detailed survey of 1,4-DHPs and 1,2,3,4-THPMs and  ...  Numerous reviews have been devoted to the chemistry and cardiovascular effects of these compounds.  ...  Among the ligand-based computer aided drug design approaches, the QSAR and 3D-QSAR methods provide valuable information about the structural features of the biologically active molecules (QSAR) and the  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.18433/j3q01v">doi:10.18433/j3q01v</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/k5ed7gkeffepbnyxzrqz4wfce4">fatcat:k5ed7gkeffepbnyxzrqz4wfce4</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20180718222523/https://journals.library.ualberta.ca/jpps/index.php/JPPS/article/download/23836/17863" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/91/78/9178bcf3431616fe7d3f708f3e2e747b2fc0e91f.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.18433/j3q01v"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="unlock alternate icon" style="background-color: #fb971f;"></i> Publisher / doi.org </button> </a>

Invited abstracts

<span title="">2010</span> <i title="Springer Nature"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/mqofgevt3nerrifn5seszdgvwu" style="color: black;">Medicinal Chemistry Research</a> </i> &nbsp;
of variable size, shape, and chemical composition.  ...  Potential application of the gold nanotriangles and magnetite nanoparticles in hyperthermia of cancer cells and targeted drug delivery are being investigated.  ...  Acknowledgments This work was partially supported by European Commission FP6 Grant LSHB-CT-2007-037590 'Net2Drug' and ISTC grant 3777.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1007/s00044-010-9296-3">doi:10.1007/s00044-010-9296-3</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/lzmz3ex77rhw3atlhnnaszyrcq">fatcat:lzmz3ex77rhw3atlhnnaszyrcq</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20171012062134/http://publisher-connector.core.ac.uk/resourcesync/data/Springer-OA/pdf/49f/aHR0cDovL2xpbmsuc3ByaW5nZXIuY29tLzEwLjEwMDcvczAwMDQ0LTAxMC05Mjk2LTMucGRm.pdf" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/20/fd/20fd7a1ff58c76d45578590b8a1bed8290ddaaaf.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1007/s00044-010-9296-3"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="external alternate icon"></i> springer.com </button> </a>

A Mini Review on Isatin, an Anticancer Scaffold with Potential Activities against Neglected Tropical Diseases (NTDs)

Shefali Chowdhary, Shalini, Amandeep Arora, Vipan Kumar
<span title="2022-04-27">2022</span> <i title="MDPI AG"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/lecpmp3vs5hulh3xiqgqnyhrge" style="color: black;">Pharmaceuticals</a> </i> &nbsp;
Isatin, chemically an indole-1H-2,3-dione, is recognised as one of the most attractive therapeutic fragments in drug design and development.  ...  The objective of this mini-review is to keep readers up to date on the latest developments in the biological potential of isatin-based scaffolds, targeting cancer and NTDs such as tuberculosis, malaria  ...  Among the synthesized compounds, 103 proved to be most active with an MIC of 6 µg/mL for methicillin-susceptible Staphylococcus aureus (MSSA), methicillin-resistant Staphylococcus aureus (MRSA), and B.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.3390/ph15050536">doi:10.3390/ph15050536</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/35631362">pmid:35631362</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/6uu7vlxuqrdhfdtpzrrnglk5pi">fatcat:6uu7vlxuqrdhfdtpzrrnglk5pi</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20220429143749/https://mdpi-res.com/d_attachment/pharmaceuticals/pharmaceuticals-15-00536/article_deploy/pharmaceuticals-15-00536.pdf?version=1651030314" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="https://blobs.fatcat.wiki/thumbnail/pdf/19/63/19638f3a7f35f2fae91e15a46a98b4ba0860b79c.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.3390/ph15050536"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="unlock alternate icon" style="background-color: #fb971f;"></i> mdpi.com </button> </a>
&laquo; Previous Showing results 1 &mdash; 15 out of 33 results