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Recent Advances in In Silico Target Fishing

Salvatore Galati, Miriana Di Stefano, Elisa Martinelli, Giulio Poli, Tiziano Tuccinardi
<span title="2021-08-24">2021</span> <i title="MDPI AG"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/dstyyzbt45gknhqqjsh45p55h4" style="color: black;">Molecules</a> </i> &nbsp;
For these reasons, target fishing has increasingly become a key approach for polypharmacology, drug repurposing, and the identification of new drug targets.  ...  a more appealing method for drug discovery.  ...  Among these, DIA-DB [100] is a web server for the identification of potential antidiabetic drugs, which uses two different approaches relying on ligand-similarity and receptor-based virtual screening  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.3390/molecules26175124">doi:10.3390/molecules26175124</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/34500568">pmid:34500568</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/jmz5qvhosjcg7jyey4rzbpuvce">fatcat:jmz5qvhosjcg7jyey4rzbpuvce</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20211005051025/https://mdpi-res.com/d_attachment/molecules/molecules-26-05124/article_deploy/molecules-26-05124.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/9a/e4/9ae4087dcdd6ecdb8482919c6aa1abccda28b9d1.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.3390/molecules26175124"> <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>

Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace

<span title="2020-03-18">2020</span> <i title="Oxford University Press (OUP)"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/op7ztx4fhvairowgqifu7dnvsi" style="color: black;">Briefings in Bioinformatics</a> </i> &nbsp;
This article provides an overview of internet resources enabling and supporting chemical biology and early drug discovery with a main emphasis on web servers dedicated to virtual ligand screening and small-molecule  ...  The interplay between life sciences and advancing technology drives a continuous cycle of chemical data growth; these data are most often stored in open or partially open databases.  ...  About 20 protein targets known to play a role in diabetes are stored in DIA-DB.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1093/bib/bbaa034">doi:10.1093/bib/bbaa034</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/32187356">pmid:32187356</a> <a target="_blank" rel="external noopener" href="https://pubmed.ncbi.nlm.nih.gov/PMC7986591/">pmcid:PMC7986591</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/mq3csvzjkfekhpjfti2wmyipxi">fatcat:mq3csvzjkfekhpjfti2wmyipxi</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20210718180812/https://hal.archives-ouvertes.fr/hal-03246816/file/bbaa034.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/92/02/92021bcd4dbb66cb5ff7073551ca2cb7ad6acd51.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1093/bib/bbaa034"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="external alternate icon"></i> oup.com </button> </a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7986591" title="pubmed link"> <button class="ui compact blue labeled icon button serp-button"> <i class="file alternate outline icon"></i> pubmed.gov </button> </a>

DiaNat-DB: a molecular database of antidiabetic compounds from medicinal plants

Abraham Madariaga-Mazón, José J. Naveja, José L. Medina-Franco, Karla O. Noriega-Colima, Karina Martinez-Mayorga
<span title="2021-01-28">2021</span> <i title="Royal Society of Chemistry (RSC)"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/x6heqyfrkfhzlnbbt24hnmjoda" style="color: black;">RSC Advances</a> </i> &nbsp;
Here, we provide DiaNat-DB, the first publicly available database of secondary metabolites from medicinal plants, chemically characterized, and integrated with antidiabetic activity.  ...  Medicinal plants are widely used against diabetes mellitus.  ...  The authors thank ChemAxon for kindly providing academic licenses of their soware.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1039/d0ra10453a">doi:10.1039/d0ra10453a</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/35424427">pmid:35424427</a> <a target="_blank" rel="external noopener" href="https://pubmed.ncbi.nlm.nih.gov/PMC8694643/">pmcid:PMC8694643</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/utea5wqvsvckpaibzippayju2y">fatcat:utea5wqvsvckpaibzippayju2y</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20210428041154/https://pubs.rsc.org/en/content/articlepdf/2021/ra/d0ra10453a" 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/a3/22/a3228b4e2033fdc77c62e0bc0e1c56dc8ac5a77d.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.1039/d0ra10453a"> <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> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8694643" title="pubmed link"> <button class="ui compact blue labeled icon button serp-button"> <i class="file alternate outline icon"></i> pubmed.gov </button> </a>

Advanced Bioinformatics Tools in the Pharmacokinetic Profiles of Natural and Synthetic Compounds with Anti-Diabetic Activity

Ana Maria Udrea, Gratiela Gradisteanu Pircalabioru, Anca Andreea Boboc, Catalina Mares, Andra Dinache, Maria Mernea, Speranta Avram
<span title="2021-11-14">2021</span> <i title="MDPI AG"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/clnmwghhxzd35jr6jihmkh3gju" style="color: black;">Biomolecules</a> </i> &nbsp;
Bioinformatics tools can be helpful in the quest for chemical compounds with effective anti-diabetic activity that can enhance the druggability of molecular targets and provide a deeper understanding of  ...  Diabetes represents a major health problem, involving a severe imbalance of blood sugar levels, which can disturb the nerves, eyes, kidneys, and other organs.  ...  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/biom11111692">doi:10.3390/biom11111692</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/34827690">pmid:34827690</a> <a target="_blank" rel="external noopener" href="https://pubmed.ncbi.nlm.nih.gov/PMC8615418/">pmcid:PMC8615418</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/6cpobwsg3jforjiqkyg36iilze">fatcat:6cpobwsg3jforjiqkyg36iilze</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20211114101451/https://mdpi-res.com/d_attachment/biomolecules/biomolecules-11-01692/article_deploy/biomolecules-11-01692.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/1b/71/1b719f37f05cbe03e50c6181811cc4c696395dec.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.3390/biom11111692"> <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/PMC8615418" title="pubmed link"> <button class="ui compact blue labeled icon button serp-button"> <i class="file alternate outline icon"></i> pubmed.gov </button> </a>

Sclerocarya birrea: Review of the pharmacology of its antidiabetic effects and toxicity
English

Gafar Victoir Coulidiaty Abdul, Noëla Hoho Youl Estelle, Marceline Yaméogo Téné
<span title="2021-08-31">2021</span> <i title="Academic Journals"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/ertmrnhygvfexfmyseglil5nbq" style="color: black;">African Journal of Pharmacy and Pharmacology</a> </i> &nbsp;
This review aims to summarize the findings for the pharmacology of S. birrea antidiabetic effects and its in vivo and in vitro toxicity.  ...  Sclerocarya birrea (A. Rich.) Hochst, an African widespread plant is known to be used for type 2 diabetes management in sub-Saharan Africa.  ...  ACKNOWLEDGEMENTS The authors appreciate the African Science Partnership for Intervention Research Excellence (Afrique One-ASPIRE) for training and technical support.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.5897/ajpp2021.5251">doi:10.5897/ajpp2021.5251</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/kloygfuofvhmfom427fsgca4nq">fatcat:kloygfuofvhmfom427fsgca4nq</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20210910043437/https://academicjournals.org/journal/AJPP/article-full-text-pdf/2C32A3467615.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/2e/fb/2efb366ee1f7432cbd6a4b0e13e2b3a2a4804293.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.5897/ajpp2021.5251"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="external alternate icon"></i> Publisher / doi.org </button> </a>

Rosemary Extract as a Potential Anti-Hyperglycemic Agent: Current Evidence and Future Perspectives

Madina Naimi, Filip Vlavcheski, Hesham Shamshoum, Evangelia Tsiani
<span title="2017-09-01">2017</span> <i title="MDPI AG"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/ztxgyntcovcxnht5g4vkoge5ka" style="color: black;">Nutrients</a> </i> &nbsp;
The current review summarizes the existing in vitro and in vivo studies examining the anti-diabetic effects of rosemary extract and its polyphenolic components and highlights the known mechanism of action  ...  Current methods of prevention and treatments for insulin resistance and T2DM are lacking in number and efficacy and, therefore, there is a need for new preventative measures and targeted therapies.  ...  Acknowledgments: This work was supported by a Natural Sciences and Engineering Research Council of Canada (NSERC) and by a Brock University Advancement Fund (BUAF) grant to E.T.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.3390/nu9090968">doi:10.3390/nu9090968</a> <a target="_blank" rel="external noopener" href="https://www.ncbi.nlm.nih.gov/pubmed/28862678">pmid:28862678</a> <a target="_blank" rel="external noopener" href="https://pubmed.ncbi.nlm.nih.gov/PMC5622728/">pmcid:PMC5622728</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/vmapry4u6vhjxpkn23tfs674ta">fatcat:vmapry4u6vhjxpkn23tfs674ta</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20190303074305/http://pdfs.semanticscholar.org/b1e0/e2fac031a1fd4956ee74e24042da2d4c01f4.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/b1/e0/b1e0e2fac031a1fd4956ee74e24042da2d4c01f4.180px.jpg" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.3390/nu9090968"> <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/PMC5622728" title="pubmed link"> <button class="ui compact blue labeled icon button serp-button"> <i class="file alternate outline icon"></i> pubmed.gov </button> </a>

The hidden order of intrinsically disordered proteins and its role in molecular recognition

Borja Mateos
<span title="">2019</span> <span class="release-stage">unpublished</span>
characterization of the disordered regions of CD44 and their binding to OPN.  ...  In particular, the lack of a stable structure confers to IDPs an exploratory behaviour, which enables them to participate in a plethora of interaction events.  ...  Konrat (Vienna) for enlightening discussions on IDPs. P. Selenko, A. Nebreda and V. Dötsch for their initial support with X. laevis experiments and M. Mayzel and V. Orekhov  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.25365/thesis.60692">doi:10.25365/thesis.60692</a> <a target="_blank" rel="external noopener" href="https://fatcat.wiki/release/wm6padsfrjffxib55d7n4lws5e">fatcat:wm6padsfrjffxib55d7n4lws5e</a> </span>
<a target="_blank" rel="noopener" href="https://web.archive.org/web/20201113175228/http://othes.univie.ac.at/60692/1/64849.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] </button> </a> <a target="_blank" rel="external noopener noreferrer" href="https://doi.org/10.25365/thesis.60692"> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="external alternate icon"></i> Publisher / doi.org </button> </a>