Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing
Serdar Durdağı, Çağdaş Dağ, Berna Doğan, Merve Yigin, Timuçin Avşar, Cengizhan Büyükdağ, İsmail Erol, Fatma Betül Ertem, Seyma Calis, Günseli Yıldırım, Müge Didem Orhan, Ömür Güven, Busecan Aksoydan, Ebru Destan, Kader Şahin, Sabri O. Besler, Lalehan Oktay, Alaleh Shafiei, İlayda Tolu, Esra Ayan, Büşra Yüksel, Ayse B. Peksen, Oktay Göcenler, Ali D. Yucel, Özgür Can, Serena Ozabrahamyan, Alpsu Olkan, Ece Erdemoğlu, Fulya Akşit, Gokhan Tanısalı, Oleksandr Yefanov, Anton Barty, A. Tolstikova, Gihan Ketawala, Sabine Botha, E. Han Dao, Brandon Hayes, Mengning Liang, Matthew Seaberg, Mark S. Hunter, Alex Batyuk, Valerio Mariani, Zhen Su, Frédéric Poitevin, Chun Hong Yoon, Christopher Kupitz, Raymond G. Sierra, Edward H. Snell, Hasan DeMi̇rci̇
Topics & Concepts
Drug repositioningProteaseRepurposingSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Coronavirus disease 2019 (COVID-19)Drug discoveryDrugCoronavirus2019-20 coronavirus outbreakVirologyComputational biologyMedicineChemistryPharmacologyBiologyBioinformaticsEnzymeBiochemistryInfectious disease (medical specialty)EcologyOutbreakPathologyDiseaseComputational Drug Discovery MethodsProtein Structure and Dynamicsthermodynamics and calorimetric analyses