Busecan Aksoydan

% IMPORTANT: The following is UTF-8 encoded. This means that in the presence % of non-ASCII characters, it will not work with BibTeX or older. % Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or % “biber”. @ARTICLE{Durdagi, author = {Durdagi, Serdar and Dağ, Çağdaş and Dogan, Berna and Yigin, Merve and Avsar, Timucin and Buyukdag, Cengizhan and Erol, Ismail and Ertem, Fatma Betul and Calis, Seyma and Yildirim, Gunseli and Orhan, Muge D. and Guven, Omur and Aksoydan, Busecan and Destan, Ebru and Sahin, Kader and Besler, Sabri O. and Oktay, Lalehan and Shafiei, Alaleh and Tolu, Ilayda and Ayan, Esra and Yuksel, Busra and Peksen, Ayse B. and Gocenler, Oktay and Yucel, Ali D. and Can, Ozgur and Ozabrahamyan, Serena and Olkan, Alpsu and Erdemoglu, Ece and Aksit, Fulya and Tanisali, Gokhan and Yefanov, Oleksandr M. and Barty, Anton and Tolstikova, Alexandra and Ketawala, Gihan K. and Botha, Sabine and Dao, E. Han and Hayes, Brandon and Liang, Mengning and Seaberg, Matthew H. and Hunter, Mark S. and Batyuk, Alex and Mariani, Valerio and Su, Zhen and Poitevin, Frederic and Yoon, Chun Hong and Kupitz, Christopher and Sierra, Raymond G. and Snell, Edward H. and DeMirci, Hasan}, title = {{N}ear-physiological-temperature serial crystallography reveals conformations of {SARS}-{C}o{V}-2 main protease active site for improved drug repurposing}, journal = {Structure}, volume = {29}, number = {12}, issn = {}, address = {Cambridge, Mass.}, publisher = {Cell Press}, reportid = {PUBDB}, pages = {e6}, year = {}, abstract = {The COVID pandemic has resulted in million reported infections and more than 4 million deaths as of July (seafoodplus.info). Research to identify effective therapies for COVID includes: (1) designing a vaccine as future protection; (2) de novo drug discovery; and (3) identifying existing drugs to repurpose them as effective and immediate treatments. To assist in drug repurposing and design, we determine two apo structures of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease at ambient temperature by serial femtosecond X-ray crystallography. We employ detailed molecular simulations of selected known main protease inhibitors with the structures and compare binding modes and energies. The combined structural and molecular modeling studies not only reveal the dynamics of small molecules targeting the main protease but also provide invaluable opportunities for drug repurposing and structure-based drug design strategies against SARS-CoV}, cin = {FS-CFEL-1 / FS-SC}, ddc = {}, cid = {I:(DE-H)FS-CFEL / I:(DE-H)FS-SC}, pnm = { - Life Sciences – Building Blocks of Life: Structure and Function (POF)}, pid = {G:(DE-HGF)POF}, experiment = {EXP:(DE-MLZ)External}, typ = {PUB:(DE-HGF)16}, pubmed = {pmid}, UT = {WOS}, doi = {/seafoodplus.info}, url = {seafoodplus.info}, }