A Guide to In Silico Drug Design

Autor: Yiqun Chang, Bryson A. Hawkins, Jonathan J. Du, Paul W. Groundwater, David E. Hibbs, Felcia Lai

Publikováno v: Pharmaceutics, Vol 15, Iss 1, p 49 (2022)

The drug discovery process is a rocky path that is full of challenges, with the result that very few candidates progress from hit compound to a commercially available product, often due to factors, such as poor binding affinity, off-target effects, o

Externí odkaz: https://doaj.org/article/2a39dc69ec314f6ca945248d1719c722

3,5-bis(styryl)pyrazole inhibits mitosis and induces cell death independent of BubR1 and p53 levels by depolymerizing microtubules

Autor: Pooja J Batra, Anuradha Kumari, Vivian W Y Liao, David E Hibbs, Paul W Groundwater, Dulal Panda

Publikováno v: The Journal of Biochemistry.

Here, we show that 3,5-bis[(1E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole 2l depolymerizes microtubules and reduces the number of growing tips of microtubules. The fluorescence recovery after photobleaching experiment in live MCF-7 cells showed that

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::253dbd6782c6e2385b4993a71618ca03
https://doi.org/10.1093/jb/mvad031

The role of adjuvants in overcoming antibacterial resistance due to enzymatic drug modification

Autor: Christy El-Khoury, Elissar Mansour, Yori Yuliandra, Felcia Lai, Bryson A. Hawkins, Jonathan J. Du, Eric J. Sundberg, Nicolas Sluis-Cremer, David E. Hibbs, Paul W. Groundwater

Publikováno v: RSC medicinal chemistry. 13(11)

Antibacterial resistance is a prominent issue with monotherapy often leading to treatment failure in serious infections. Many mechanisms can lead to antibacterial resistance including deactivation of antibacterial agents by bacterial enzymes. Enzymat

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::87ddd311445b31a582f98126828293eb
https://pubmed.ncbi.nlm.nih.gov/36439977

A Selective, Dual Emission β-Alanine Aminopeptidase Activated Fluorescent Probe for the Detection of Pseudomonas aeruginosa, Burkholderia cepacia, and Serratia marcescens

Autor: Linda Váradi, Elias Y. Najib, David E. Hibbs, John D. Perry, Paul W. Groundwater

Publikováno v: Molecules, Vol 24, Iss 19, p 3550 (2019)

Selective detection of β-alanyl aminopeptidase (BAP)-producing Pseudomonas aeruginosa, Serratia marcescens, and Burkholderia cepacia was achieved by employing the blue-to-yellow fluorescent transition of a BAP-specific enzyme substrate, 3-hydroxy-2-

Externí odkaz: https://doaj.org/article/fa3cf067b88a491ebc3d80e30cbf3b04

An experimental and theoretical charge density study of theophylline and malonic acid cocrystallization

Autor: Bryson A. Hawkins, Jonathan J. Du, Felcia Lai, Stephen A. Stanton, Peter A. Williams, Paul W. Groundwater, James A. Platts, Jacob Overgaard, David E. Hibbs

Publikováno v: Hawkins, B A, Du, J J, Lai, F, Stanton, S A, Williams, P A, Groundwater, P W, Platts, J A, Overgaard, J & Hibbs, D E 2022, ' An experimental and theoretical charge density study of theophylline and malonic acid cocrystallization ', RSC Advances, vol. 12, no. 25, pp. 15670-15684 . https://doi.org/10.1039/d1ra08389a

The pharmaceutical agent theophylline (THEO) is primarily used as a bronchodilator and is commercially available in both tablet and liquid dosage forms. THEO is highly hygroscopic, reducing its stability, overall shelf-life, and therefore usage as a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0b19c6582be97f23d2ecf1f28e0cd8a6
https://pure.au.dk/portal/da/publications/an-experimental-and-theoretical-charge-density-study-of-theophylline-and-malonic-acid-cocrystallization(607298f6-8643-4416-a8cb-3ef68680452b).html