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A Guide to In Silico Drug Design
Pharmaceutics, 2022 The drug discovery process is a rocky path that is full of challenges, with the result that very few candidates progress from hit compound to a commercially available product, often due to factors, such as poor binding affinity, off-target effects, or ...
Yiqun Chang +5 more
doaj +4 more sources
In Silico Methods in Antibody Design [PDF]
Antibodies, 2018 Antibody therapies with high efficiency and low toxicity are becoming one of the major approaches in antibody therapeutics. Based on high-throughput sequencing and increasing experimental structures of antibodies/antibody-antigen complexes, computational
Jun Zhao +3 more
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Development and validation of anti-human Alpha synuclein DNA aptamer using computer modelling techniques—an in silico study [PDF]
Journal of Integrative Neuroscience, 2022 Background: Biomarker detection strategies have, in recent years, been moving towards nucleic acid-based detection systems in the form of aptamers, short oligonucleotide sequences which have shown promise in pre-clinical and research settings.
Marcus Rock +7 more
doaj +3 more sources
In-silico Design of Multi-epitope Vaccine against Nipah Virus using Immunoinformatics Approach
Journal of Pure and Applied Microbiology, 2021 Nipah virus is a pleomorphic virus that causes high mortality with unpredictable outbreaks. The virus also shows high zoonotic potential with long term neurological damage after recovery further adding to the disease burden.
Suraj Raju +2 more
doaj +2 more sources
In silico design of antimicrobial peptides
, 2014 The rapid spread of drug-resistant pathogenic microbial strains has created an urgent need for the development of new anti-infective molecules, having different mechanism of action in comparison to existing drugs.
Mariagrazia Di Luca +5 more
core +5 more sources
Methods and Applications of In Silico Aptamer Design and Modeling
International Journal of Molecular Sciences, 2020 Aptamers are nucleic acid analogues of antibodies with high affinity to different targets, such as cells, viruses, proteins, inorganic materials, and coenzymes. Empirical approaches allow the design of in vitro aptamers that bind particularly to a target
Andrey A Buglak +2 more
exaly +2 more sources
In silico design of foldable lasso peptides. [PDF]
Biophys JLasso peptides are a unique class of natural products with distinctively threaded structures, conferring exceptional stability against thermal and proteolytic degradation. Despite their promising biotechnological and pharmaceutical applications, reported attempts to prepare them by chemical synthesis result in forming the nonthreaded branched-cyclic ...
Nguyen JDM +4 more
europepmc +3 more sources
In silico exploration of novel protease inhibitors against coronavirus 2019 (COVID-19)
Informatics in Medicine Unlocked, 2021 The spread of SARS-CoV-2 has affected human health globally. Hence, it is necessary to rapidly find the drug-candidates that can be used to treat the infection.
Elham Aghaee +2 more
doaj +1 more source
Research in Pharmaceutical Sciences, 2022 Background and purpose: The lack of a new effective treatment for small cell lung cancer (SCLC) is an unresolved problem. Due to the new identification of delta-like ligand 3 (DLL3) and its high expression in SCLC patients, the use of DLL3 in target ...
Mohammad Hossein Ataee +5 more
doaj +1 more source
Model-Based Design to Enhance Neotissue Formation in Additively Manufactured Calcium-Phosphate-Based Scaffolds [PDF]
, 2023 peer reviewedIn biomaterial-based bone tissue engineering, optimizing scaffold structure and composition remains an active field of research. Additive manufacturing has enabled the production of custom designs in a variety of materials. This study aims
Liang, Bingbing +17 more
core +1 more source