Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review
VT Sabe, T Ntombela, LA Jhamba… - European Journal of …, 2021 - Elsevier
Computer-aided drug design (CADD) is one of the pivotal approaches to contemporary pre-
clinical drug discovery, and various computational techniques and software programs are …
clinical drug discovery, and various computational techniques and software programs are …
Integrated approach to structure-based enzymatic drug design: molecular modeling, spectroscopy, and experimental bioactivity
Analysis of the literature involving computational modeling of diseases and drug design with
the aid of experimental spectroscopic techniques reveals that this specific combination of …
the aid of experimental spectroscopic techniques reveals that this specific combination of …
Computational approaches to toll-like receptor 4 modulation
JM Billod, A Lacetera, J Guzmán-Caldentey… - Molecules, 2016 - mdpi.com
Toll-like receptor 4 (TLR4), along with its accessory protein myeloid differentiation factor 2
(MD-2), builds a heterodimeric complex that specifically recognizes lipopolysaccharides …
(MD-2), builds a heterodimeric complex that specifically recognizes lipopolysaccharides …
Good Vibrations Report on the DNA Quadruplex Binding of an Excited State Amplified Ruthenium Polypyridyl IR Probe
M Stitch, D Avagliano, D Graczyk, IP Clark… - Journal of the …, 2023 - ACS Publications
The nitrile containing Ru (II) polypyridyl complex [Ru (phen) 2 (11, 12-dCN-dppz)] 2+(1) is
shown to act as a sensitive infrared probe of G-quadruplex (G4) structures. UV–visible …
shown to act as a sensitive infrared probe of G-quadruplex (G4) structures. UV–visible …
Structural insight into the stabilization of microtubules by taxanes
AE Prota, D Lucena-Agell, Y Ma, J Estevez-Gallego… - Elife, 2023 - elifesciences.org
Paclitaxel (Taxol) is a taxane and a chemotherapeutic drug that stabilizes microtubules.
While the interaction of paclitaxel with microtubules is well described, the lack of high …
While the interaction of paclitaxel with microtubules is well described, the lack of high …
Evaluating the antimicrobial and apoptogenic properties of bacteriocin (nisin) produced by Lactococcus lactis
N Thanjavur, R Sangubotla, BA Lakshmi, R Rayi… - Process …, 2022 - Elsevier
In this study, we extracted nisin from Lactococcus lactis, purified it, and examined it for
biological properties such as antibacterial and anticancer activities. The purified nisin was …
biological properties such as antibacterial and anticancer activities. The purified nisin was …
High-affinity ligands of the colchicine domain in tubulin based on a structure-guided design
O Bueno, J Estevez Gallego, S Martins, AE Prota… - Scientific reports, 2018 - nature.com
Microtubule-targeting agents that bind at the colchicine-site of tubulin are of particular
interest in antitumoral therapy due to their dual mechanism of action as antimitotics and …
interest in antitumoral therapy due to their dual mechanism of action as antimitotics and …
Activation of Human Toll-like receptor 4 (TLR4)· myeloid differentiation factor 2 (MD-2) by hypoacylated lipopolysaccharide from a clinical isolate of Burkholderia …
F Di Lorenzo, Ł Kubik, A Oblak, NI Lore… - Journal of Biological …, 2015 - ASBMB
Lung infection by Burkholderia species, in particular Burkholderia cenocepacia, accelerates
tissue damage and increases post-lung transplant mortality in cystic fibrosis patients. Host …
tissue damage and increases post-lung transplant mortality in cystic fibrosis patients. Host …
WW domains of the yes-kinase-associated-protein (YAP) transcriptional regulator behave as independent units with different binding preferences for PPxY motif …
M Iglesias-Bexiga, F Castillo, ES Cobos, T Oka… - PloS one, 2015 - journals.plos.org
YAP is a WW domain-containing effector of the Hippo tumor suppressor pathway, and the
object of heightened interest as a potent oncogene and stemness factor. YAP has two major …
object of heightened interest as a potent oncogene and stemness factor. YAP has two major …
[HTML][HTML] Molecular basis of the final step of cell division in Streptococcus pneumoniae
S Martínez-Caballero, C Freton, R Molina, SG Bartual… - Cell reports, 2023 - cell.com
Bacterial cell-wall hydrolases must be tightly regulated during bacterial cell division to
prevent aberrant cell lysis and to allow final separation of viable daughter cells. In a …
prevent aberrant cell lysis and to allow final separation of viable daughter cells. In a …