Results 31 to 40 of about 123,989 (167)

Structural Comparison of α-agarase (α-AgaD) from Thalassomonas sp. LD5: An in-silico study

Journal of Tropical Life Science
The significance of agarase enzymes spans various high-value industries, including food, cosmetics, and medicine. These enzymes play a crucial role in the hydrolysis of agar to produce bioactive oligosaccharides, enabling wide-ranging applications across
Habeebat Adekilekun Oyewusi, Oluwatosin Oladipo, Roswanira Abdul Wahab, Habeebulahi Ajibola Adekilekun, Ida Bagus Wayan Gunam, Fahrul Huyop   +5 more
doaj   +1 more source

A simple open source bioinformatic methodology for initial exploration of GPCR ligands’ agonistic/antagonistic properties

Pharmacology Research & Perspectives, 2020
Drug development is an arduous procedure, necessitating testing the interaction of a large number of potential candidates with potential interacting (macro)molecules.
Athanasios A. Panagiotopoulos, Christina Papachristofi, Konstantina Kalyvianaki, Panagiotis Malamos, Panayiotis A. Theodoropoulos, George Notas, Theodora Calogeropoulou, Elias Castanas, Marilena Kampa   +8 more
doaj   +1 more source

Outside the limit: questioning the distance restrictions for cooperative miRNA binding sites

Cellular & Molecular Biology Letters, 2023
Among the concepts in biology that are widely taken granted is a potentiated cooperative effect of multiple miRNAs on the same target. This strong hypothesis contrasts insufficient experimental evidence.
Caroline Diener, Martin Hart, Claudia Fecher-Trost, Jessica Knittel, Stefanie Rheinheimer, Markus R. Meyer, Jens Mayer, Veit Flockerzi, Andreas Keller, Eckart Meese   +9 more
doaj   +1 more source

In Silico Prediction and Insights Into the Structural Basis of Drug Induced Nephrotoxicity

Frontiers in Pharmacology, 2022
Drug induced nephrotoxicity is a major clinical challenge, and it is always associated with higher costs for the pharmaceutical industry and due to detection during the late stages of drug development.
Yinping Shi, Yuqing Hua, Yuqing Hua, Baobao Wang, Ruiqiu Zhang, Ruiqiu Zhang, Xiao Li, Xiao Li   +7 more
doaj   +1 more source

Genome-wide analysis of Claviceps paspali: insights into the secretome of the main species causing ergot disease in Paspalum spp

BMC Genomics, 2021
Background The phytopatogen Claviceps paspali is the causal agent of Ergot disease in Paspalum spp., which includes highly productive forage grasses such as P. dilatatum.
H. Oberti, G. Spangenberg, N. Cogan, R. Reyno, M. Feijoo, S. Murchio, M. Dalla-Rizza   +6 more
doaj   +1 more source

In Silico Approach for Prediction of Antifungal Peptides [PDF]

Frontiers in Microbiology, 2018
This paper describes in silico models developed using a wide range of peptide features for predicting antifungal peptides (AFPs). Our analyses indicate that certain types of residue (e.g., C, G, H, K, R, Y) are more abundant in AFPs. The positional residue preference analysis reveals the prominence of the particular type of residues (e.g., R, V, K) at ...
Piyush Agrawal, Sherry Bhalla, Kumardeep Chaudhary, Rajesh Kumar, Meenu Sharma, Gajendra P. S. Raghava, Gajendra P. S. Raghava   +6 more
openaire   +3 more sources

Individual HLA-A, -B, -C, and -DRB1 Genotypes Are No Major Factors Which Determine COVID-19 Severity

Frontiers in Immunology, 2021
HLA molecules are key restrictive elements to present intracellular antigens at the crossroads of an effective T-cell response against SARS-CoV-2. To determine the impact of the HLA genotype on the severity of SARS-CoV-2 courses, we investigated data ...
Johannes Schetelig, Johannes Schetelig, Falk Heidenreich, Falk Heidenreich, Henning Baldauf, Sarah Trost, Bose Falk, Christian Hoßbach, Ruben Real, Axel Roers, Dirk Lindemann, Alexander Dalpke, Martin Kolditz, Katja de With, Martin Bornhäuser, Ezio E. Bonifacio, Elke Rücker-Braun, Elke Rücker-Braun, Vinzenz Lange, Jan Markert, Ralf Barth, Jan A. Hofmann, Jürgen Sauter, Stefanie N. Bernas, Alexander H. Schmidt, Alexander H. Schmidt, Alexander H. Schmidt   +26 more
doaj   +1 more source

In silico prediction of endocrine activity

Trends in Endocrinology & Metabolism
Endocrine-disrupting chemicals (EDCs) pose health risks; yet, conventional in vitro and in vivo testing remains slow, costly, and animal-intensive. Enhanced use of in silico approaches can contribute to earlier and increased detection of potential EDCs.
Daan A. Jiskoot, Jeroen L.A. Pennings, Willie J.G.M. Peijnenburg, Gerard J.P. van Westen, Willem Jespers, Pim N.H. Wassenaar   +5 more
openaire   +4 more sources

In Silico Predictions of Endocrine Disruptors Properties [PDF]

Endocrinology, 2019
Abstract Endocrine-disrupting chemicals (EDCs) are a broad class of molecules present in our environment that are suspected to cause adverse effects in the endocrine system by interfering with the synthesis, transport, degradation, or action of endogenous ligands.
Schneider, Melanie, Pons, Jean-Luc, Labesse, Gilles, Bourguet, William   +3 more
openaire   +3 more sources

Molecular surface descriptors to predict antibody developability: sensitivity to parameters, structure models, and conformational sampling

mAbs
In silico assessment of antibody developability during early lead candidate selection and optimization is of paramount importance, offering a rapid and material-free screening approach.
Eliott Park, Saeed Izadi
doaj   +1 more source