Software aided approaches to structure-based metabolite identification in drug discovery and development

2013 ◽  
Vol 10 (1) ◽  
pp. e207-e217 ◽  
Author(s):  
Axel Pähler ◽  
Andreas Brink
Keyword(s):  
Drug Discovery ◽  
Metabolite Identification ◽  
Drug Discovery And Development

Sitagliptin: a potential drug for the treatment of SARS-CoV-2?

2020 ◽  
Author(s):  
Sanaa Bardaweel
Keyword(s):  
Clinical Trials ◽  
Drug Discovery ◽  
Antimalarial Drug ◽  
Drug Repurposing ◽  
Spike Protein ◽  
Diabetic Patients ◽  
Potential Drug ◽  
Chemokine Production ◽  
Drug Discovery And Development ◽  
Sequence Identity

Recently, an outbreak of fatal coronavirus, SARS-CoV-2, has emerged from China and is rapidly spreading worldwide. As the coronavirus pandemic rages, drug discovery and development become even more challenging. Drug repurposing of the antimalarial drug chloroquine and its hydroxylated form had demonstrated apparent effectiveness in the treatment of COVID-19 associated pneumonia in clinical trials. SARS-CoV-2 spike protein shares 31.9% sequence identity with the spike protein presents in the Middle East Respiratory Syndrome Corona Virus (MERS-CoV), which infects cells through the interaction of its spike protein with the DPP4 receptor found on macrophages. Sitagliptin, a DPP4 inhibitor, that is known for its antidiabetic, immunoregulatory, anti-inflammatory, and beneficial cardiometabolic effects has been shown to reverse macrophage responses in MERS-CoV infection and reduce CXCL10 chemokine production in AIDS patients. We suggest that Sitagliptin may be beneficial alternative for the treatment of COVID-19 disease especially in diabetic patients and patients with preexisting cardiovascular conditions who are already at higher risk of COVID-19 infection.

The State of the Art in Anti-Malarial Drug Discovery and Development

2011 ◽  
Vol 999 (999) ◽  
pp. 1-29
Author(s):  
Jeremy N. Burrows ◽  
Kelly Chibale ◽  
Timothy N.C. Wells
Keyword(s):  
Drug Discovery ◽  
State Of The Art ◽  
The State ◽  
Drug Discovery And Development
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