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Cloud Application in Drug Development
Published in Rishabha Malviya, Pramod Kumar Sharma, Sonali Sundram, Rajesh Kumar Dhanaraj, Balamurugan Balusamy, Bioinformatics Tools and Big Data Analytics for Patient Care, 2023
Nitu Singh, Urvashi Sharma, Deepika Bairagee, Neelam Jain
For medications that target specific biological molecules, a high enough binding affinity between the drug and its target is required for the drug’s potency to develop. As a result, throughout the drug development stages of hit identification, lead generation (hit to lead), and optimisation, binding affinity is one of the most important optimisation targets. A group of compounds with verified action to the biological target is identified for hit identification via high throughput screening or virtual screening, followed by experimental validation from a library of varied compounds. Because of its consistent accuracy and efficiency, FEP has gained traction as a computational tool for predicting binding affinities between candidate drugs and their biological targets. To move the system from one real ligand to another (the relative binding free energy approach, RBFE) or from the target-ligand complex to the separated target and ligand state, FEP uses a sequence of well-defined alchemical states (the absolute binding free energy method, ABFE).
Nanocarriers as an Emerging Platform for Cancer Therapy
Published in Lajos P. Balogh, Nano-Enabled Medical Applications, 2020
Dan Peer, Jeffrey M. Karp, Seungpyo Hong, Omid C. Farokhzad, Rimona Margalit, Robert Langer
It is generally known that higher binding affinity increases targeting efficacy. However, for solid tumours, there is evidence that high binding affinity can decrease penetration of nanocarriers due to a ‘binding-site barrier’, where the nanocarrier binds to its target so strongly that penetration into the tissue is prevented [16, 21]. In addition to enhanced affinity, multivalent binding effects (or avidity) may also be used to improve targeting. The collective binding in a multivalent interaction is much stronger than monovalent binding. For example, dendrimer nanocarriers conjugated to 3–15 folate molecules showed a 2,500–170,000-fold enhancement in dissociation constants (KD) over free folate when attaching to folate-binding proteins immobilized on a surface. This was attributed to the avidity of the multiple folic acid groups on the periphery of the dendrimers [22].
Magnetic Separation: A Nanotechnology Approach for Biological Molecules Purification
Published in Ali Pourhashemi, Sankar Chandra Deka, A. K. Haghi, Research Methods and Applications in Chemical and Biological Engineering, 2019
Ana Karina Pérez-Guzmán, Ariel García-Cruz, Anna Ilyina, Rodolfo Ramos-González, Mónica L. Chávez-González, Arturo I. Martínez-Enríquez, Juan Alberto Ascacio-Valdes, Alejandro Zugasti Cruz, María Lourdes Virginia Díaz-Jiménez, Elda Patricia Segura Ceniceros, José Luis Martínez Hernández, Cristóbal Noé Aguilar
Both methods have in common “bioselective adsorption,” a term which is used to refer to an adsorption based on an affinity between the desired biological compound and a molecule in an interaction with it.19 For example, it may be the biological affinity between an enzyme and its substrate, inhibitor and/or other small ligand, usually in the active site of the enzyme. These ligands are classified according to their chemical nature or their selectivity for the retention of analytes, the latter is classified into specific ligands (antibodies) and general (such as lecithins).19 Conventional affinity ligands have originated from natural sources such as peptides, oligonucleotides, antibodies, substrates, or other receptors binding proteins.7 These ligands are usually extremely specific, but, at the same time, they are expensive and sometimes difficult to immobilize and preserve their biological activity.11
In vitro and in vivo evaluation of porous lactose/mannitol carriers for solubility enhancement of poorly water-soluble drugs
Published in Drying Technology, 2020
Niyanhan Jiang, Shanshan Wang, Zeneng Cheng, Wenjie Liu
With the application of high-throughput drug screening and computer-aided drug design, many novel drugs representing high affinity to the drug target have been developed. Major challenges facing the formulation design of these potent drugs are their poor aqueous solubility and the resulted low bioavailability.[1] Addressing this issue, self-emulsifying drug delivery systems, particle size reduction, micellar solubilization, solid dispersions and some other pharmaceutical methodologies have been studied.[2]
Multisubstrate specific flavin containing monooxygenase from Chlorella pyrenoidosa with potential application for phenolic wastewater remediation and biosensor application
Published in Environmental Technology, 2018
Measurement of velocity of enzyme-catalysed reaction at different substrate concentration helps understand the affinity of the enzyme for the substrate. The substrate affinity of phenol hydroxylase towards various phenol concentration and the values of maximal velocity (Vmax) and apparent Michealis constant (Km) for phenol oxidation were calculated from Lineweaver Burk plots [10,26].
Scheduling batch processing machine problem with non-identical job sizes via artificial immune system
Published in Journal of Industrial and Production Engineering, 2018
Affinity is used to describe the ability of antibody for binding antigen. Antibody with higher affinity has more powerful ability to bind and disable antigen. In this paper, this phenomenon is called affinity maturation.