Towards a digital bioprocess replica: computational approaches in biopharmaceutical development and manufacturing

J Smiatek, A Jung, E Bluhmki - Trends in Biotechnology, 2020‏ - cell.com
Quantitative unit operation models for the optimization and refinement of modern late-stage
biopharmaceutical drug manufacturing processes have recently attracted increasing …

[HTML][HTML] Integrated computational approaches and tools for allosteric drug discovery

O Sheik Amamuddy, W Veldman, C Manyumwa… - International journal of …, 2020‏ - mdpi.com
Understanding molecular mechanisms underlying the complexity of allosteric regulation in
proteins has attracted considerable attention in drug discovery due to the benefits and …

PRIMO: An interactive homology modeling pipeline

R Hatherley, DK Brown, M Glenister, Ö Tastan Bishop - PLoS One, 2016‏ - journals.plos.org
The development of automated servers to predict the three-dimensional structure of proteins
has seen much progress over the years. These servers make calculations simpler, but …

Incorporating functional genomics into the pathology-supported genetic testing framework implemented in South Africa: A future view of precision medicine for breast …

C Christowitz, DW Olivier, JW Schneider… - … Research-Reviews in …, 2024‏ - Elsevier
A pathology-supported genetic testing (PSGT) framework was established in South Africa to
improve access to precision medicine for patients with breast carcinomas. Nevertheless, the …

Identification of potential Aurora kinase-C protein inhibitors: an amalgamation of energy minimization, virtual screening, prime MMGBSA and AutoDock

R Bathula, G Lanka, N Muddagoni… - Journal of …, 2020‏ - Taylor & Francis
Genomic instability is a trademark of cancer evolution, there is still a wide necessity to
discover safe and effective anti-cancer drugs. Aurora kinase-C protein is a member of the …

Potential Ebola drug targets–filling the gap: a critical step forward towards the design and discovery of potential drugs

M Balmith, MES Soliman - Biologia, 2017‏ - degruyter.com
Among the classified neglected infectious diseases, the Ebola virus (EboV) remains a
challenging epidemic. This deadly virus has been reported as a category A bioweapon …

Identification of novel anti cancer agents by applying insilico methods for inhibition of TSPO protein

M Bhargavi, SK Sivan, SR Potlapally - Computational Biology and …, 2017‏ - Elsevier
Cancer is a genomic disease characterised as impaired cellular energy metabolism. Cancer
cells derive most of their energy from oxidative phosphorylation unlike normal ones during …

Identification of novel selective antagonists for cyclin C by homology modeling and virtual screening

PS Rajender, M Vasavi, U Vuruputuri - International Journal of Biological …, 2011‏ - Elsevier
Cancer is a global multidrug resistant calamity, demanding an urgent need to design a
novel/potent anti cancer agent. CDK8, 3/cyclin C biosynthetic pathway plays a specific role …

In silico molecular modeling and docking studies on the leishmanial tryparedoxin peroxidase

O Mutlu - Brazilian Archives of Biology and Technology, 2014‏ - SciELO Brasil
Leishmaniasis is one of the most common form of neglected parasitic disease that affects
about 350 million people worldwide. Leishmanias have a trypanothione mediated …

Exploring characteristic features for effective HCN1 channel inhibition using integrated analytical approaches: 3D QSAR, molecular docking, homology modelling …

S Sharma, P Rana, VD Chadha, N Dhingra… - European Biophysics …, 2024‏ - Springer
Neuropathic pain (NP) is characterized by hyperalgesia, allodynia, and spontaneous pain.
Hyperpolarization-activated cyclic nucleotide-gated (HCN) channel involved in neuronal …