Results 61 to 70 of about 236,648 (327)

In vitro and in silico Approaches to the Identification of New Compounds with Antibacterial Profile [PDF]

Journal of Systemics, Cybernetics and Informatics, 2013
The emergence of multidrug-resistant bacterial strains is a world problem that increases the need for new and more effective antimicrobials. On that purpose, derivatives of cyclic systems may serve as new leads for discovering new active molecules.
Carlos R. Rodrigues, Bruno Leal, Kely N. De Oliveira, Ariane S. S. R. Ferreira, Alice Bernardino, Ricardo J. Nunes, Vitor Ferreira, Maria C. De Souza, Anna C. Cunha, Helena C. Castro   +9 more
doaj  

CDR1 Composition Can Affect Nanobody Recombinant Expression Yields

Biomolecules, 2021
The isolation of nanobodies from pre-immune libraries by means of biopanning is a straightforward process. Nevertheless, the recovered candidates often require optimization to improve some of their biophysical characteristics.
Marco Orlando, Sara Fortuna, Sandra Oloketuyi, Gregor Bajc, Adi Goldenzweig, Ario de Marco   +5 more
doaj   +1 more source

In silico protein modeling

, 2014
EXCLI Journal ; Vol.
Gupta, Chhedi Lal, Akhtar, Salman, Bajpai, Bajpai   +2 more
openaire   +2 more sources

Potential inhibitors of VEGFR1, VEGFR2, and VEGFR3 developed through Deep Learning for the treatment of Cervical Cancer

Scientific Reports
Cervical cancer stands as a prevalent gynaecologic malignancy affecting women globally, often linked to persistent human papillomavirus infection. Biomarkers associated with cervical cancer, including VEGF-A, VEGF-B, VEGF-C, VEGF-D, and VEGF-E, show ...
Anuraj Nayarisseri, Mohnad Abdalla, Isha Joshi, Manasi Yadav, Anushka Bhrdwaj, Ishita Chopra, Arshiya Khan, Arshiya Saxena, Khushboo Sharma, Aravind Panicker, Umesh Panwar, Francisco Jaime Bezerra Mendonça Junior, Sanjeev Kumar Singh   +12 more
doaj   +1 more source

Predicting Drug-Induced Cholestasis with the Help of Hepatic Transporters—An in Silico Modeling Approach

Journal of Chemical Information and Modeling, 2017
Cholestasis represents one out of three types of drug induced liver injury (DILI), which comprises a major challenge in drug development. In this study we applied a two-class classification scheme based on k-nearest neighbors in order to predict ...
Eleni Kotsampasakou, G. Ecker
semanticscholar   +1 more source

$In~Silico$ Electrical Modeling of Cell Aggregates [PDF]

IEEE Transactions on Magnetics, 2020
The paper deals with two different approaches to model cell aggregates submitted to an electric stimulation, namely the equivalent circuit approach and the theoretical homogenization. For each approach, the effective impedance of the cell aggregate is given, enabling a comparison between the different models.
Floriane Gidel, Damien Voyer, Clair Poignard   +2 more
openaire   +1 more source

The (Glg)ABCs of cyanobacteria: modelling of glycogen synthesis and functional divergence of glycogen synthases in Synechocystis sp. PCC 6803

FEBS Letters, EarlyView.
We reconstituted Synechocystis glycogen synthesis in vitro from purified enzymes and showed that two GlgA isoenzymes produce glycogen with different architectures: GlgA1 yields denser, highly branched glycogen, whereas GlgA2 synthesizes longer, less‐branched chains.
Kenric Lee, Dimitrios Bekiari, Sofia Doello, Karl Forchhammer   +3 more
wiley   +1 more source

Biodegradation of plasticizers by novel strains of bacteria isolated from plastic waste near Juhu Beach, Mumbai, India

Scientific Reports
Phthalic acid esters are pivotal plasticizers in various applications, including cosmetics, packaging materials, and medical devices. They have garnered significant attention from the scientific community due to their persistence in ecosystems.
Khushboo Sharma, Anuraj Nayarisseri, Sanjeev Kumar Singh   +2 more
doaj   +1 more source

An in silico study of bioactive compounds of Annona muricata in the design of ani-prostate cancer agent: MM/GBSA, pharmacophore modeling and ADMET parameters

Informatics in Medicine Unlocked, 2023
One of the most frequent diseases that affect and kill men globally is prostate cancer. Treatment for prostate cancer has become unpleasant and upsetting for individuals due to the resulting resistance, toxicity, and adverse effects of standard ...
Victor Onukwube Apeh, Abayomi Emmanuel Adegboyega, Ifeoma Felicia Chukwuma, Chinenye Jane Ugwah-Oguejiofor, Patrick Maduabuchi Aja, Josephine Omose Ofeimun, Boniface Anthony Ale, Grace Inioluwa Johnson, Lilian Nwanneka Ebenyi, Opeyemi Iwaloye, Stephen Adakole Ejembi, Flora Nnenna Ezugworie, Titilayo Omolara Johnson   +12 more
doaj   +1 more source

Tubulin bond energies and microtubule biomechanics determined from nanoindentation in silico [PDF]

, 2015
Microtubules, the primary components of the chromosome segregation machinery, are stabilized by longitudinal and lateral non-covalent bonds between the tubulin subunits.
Ataullakhanov, Fazly I., Barsegov, Valeri, Dima, Ruxandra I., Grishchuk, Ekaterina L., Kholodov, Yaroslav, Kononova, Olga, Marx, Kenneth A., Theisen, Kelly E.   +7 more
core   +1 more source