Five Solid Forms of a Potent Imidazopyridazine Antimalarial Drug Lead: A Preformulation Study

2019 ◽  
Vol 19 (8) ◽  
pp. 4683-4697 ◽  
Author(s):  
Terence J. Noonan ◽  
Kelly Chibale ◽  
Peter M. Cheuka ◽  
Malkeet Kumar ◽  
Susan A. Bourne ◽  
...  
Keyword(s):  
Antimalarial Drug ◽  
Drug Lead ◽  
Preformulation Study

Cocrystal and Salt Forms of an Imidazopyridazine Antimalarial Drug Lead

2019 ◽  
Vol 108 (7) ◽  
pp. 2349-2357 ◽  
Author(s):  
Terence J. Noonan ◽  
Kelly Chibale ◽  
Peter M. Cheuka ◽  
Susan A. Bourne ◽  
Mino R. Caira
Keyword(s):  
Antimalarial Drug ◽  
Drug Lead ◽  
Salt Forms

scholarly journals Quest for a potent antimalarial drug lead: Synthesis and evaluation of 6,7-dimethoxyquinazoline-2,4-diamines

2021 ◽  
Vol 33 ◽  
pp. 116018
Author(s):  
Yuki Mizukawa ◽  
Mayumi Ikegami-Kawai ◽  
Masako Horiuchi ◽  
Marcel Kaiser ◽  
Masayoshi Kojima ◽  
...  
Keyword(s):  
Antimalarial Drug ◽  
Drug Lead

A rufomycin analogue is an anti-tuberculosis drug lead targeting CLPC1 with no cross resistance to ecumicin

Planta Medica ◽  
2015 ◽  
Vol 81 (11) ◽  
Author(s):  
M Choules ◽  
Y Yu ◽  
SH Cho ◽  
J Anderson ◽  
W Gao ◽  
...  
Keyword(s):  
Cross Resistance ◽  
Drug Lead

Accelerating drug lead discovery from nature by high-resolution bioactivity profiling combined with HPLC-HRMS-SPE-NMR

Planta Medica ◽  
2016 ◽  
Vol 81 (S 01) ◽  
pp. S1-S381
Author(s):  
KT Kongstad ◽  
NT Nyberg ◽  
SG Wubshet ◽  
D Staerk
Keyword(s):  
High Resolution ◽  
Lead Discovery ◽  
Drug Lead

Molecular Docking Approaches to Suggest the Anti-Mycobacterial Targets of Natural Products

2020 ◽  
Author(s):  
Rafael Baptista ◽  
Sumana Bhowmick ◽  
Shen Jianying ◽  
Luis Mur
Keyword(s):  
Natural Products ◽  
Molecular Docking ◽  
Free Energies ◽  
Antibiotic Resistant ◽  
Drug Lead ◽  
Bisbenzylisoquinoline Alkaloids ◽  
Docking Approach ◽  
Global Threat ◽  
Physicochemical And Structural Properties

Tuberculosis (TB) is a major global threat mostly due to the development of antibiotic resistant forms of Mycobacterium tuberculosis, the causal agent of the disease. Driven by the pressing need for new anti-mycobacterial agents, several natural products (NPs) have been shown to have in vitro activities against M. tuberculosis. The utility of any NP as a drug lead is augmented when the anti-mycobacterial target(s) is unknown. To suggest these, we used a molecular docking approach to predict the interactions of 53 selected anti-mycobacterial NPs against known ‘druggable’ mycobacterial targets ClpP1P2, DprE1, InhA, KasA, PanK, PknB and Pks13. The docking scores / binding free energies were predicted and calculated using AutoDock Vina along with physicochemical and structural properties of the NPs, using PaDEL descriptors. These were compared to the established inhibitor (control) drugs for each mycobacterial target. The specific interactions of the bisbenzylisoquinoline alkaloids 2-nortiliacorinine, tiliacorine and 13’-bromotiliacorinine against the targets PknB and DprE1 (-11.4, -10.9 and -9.8 kcal.mol-1 ; -12.7, -10.9 and -10.3 kcal.mol-1 , respectively) and the lignan αcubebin and Pks13 (-11.0 kcal.mol-1 ) had significantly superior docking scores compared to controls. Our approach can be used to suggest predicted targets for the NP to be validated experimentally but these in silico steps are likely to facilitate drug optimisation.

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.

Sign in / Sign up

Export Citation Format

Share Document