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In Silico Structure-Based Vaccine Design
2023Structure-based vaccine design (SBVD) is an important technique in computational vaccine design that uses structural information on a targeted protein to design novel vaccine candidates. This increasing ability to rapidly model structural information on proteins and antibodies has provided the scientific community with many new vaccine targets and ...
Sakshi, Piplani +4 more
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Discovery and Design of Radiopharmaceuticals by In silico Methods
Current Radiopharmaceuticals, 2022Abstract:There has been impressive growth in the use of radiopharmaceuticals for therapy, selective toxic payload delivery, and noninvasive diagnostic imaging of disease. The increasing timeframes and costs involved in the discovery and development of new radiopharmaceuticals have driven the development of more efficient strategies for this process ...
David A. Winkler +2 more
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In Silico Adjuvant Design and Validation
2016Adjuvants are substances that boost the protective immune response to vaccine antigens. The majority of known adjuvants have been identified through the use of empirical approaches. Our aim was to identify novel adjuvants with well-defined cellular and molecular mechanisms by combining a knowledge of immunoregulatory mechanisms with an in silico ...
Davies, Matthew +8 more
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In Silico Design of Small Molecules
2011Computational methods now play an integral role in modern drug discovery, and include the design and management of small molecule libraries, initial hit identification through virtual screening, optimization of the affinity and selectivity of hits, and improving the physicochemical properties of the lead compounds.
Paul H, Bernardo, Joo Chuan, Tong
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In silico design for protein stabilization
Current Opinion in Biotechnology, 1999Newly developed in silico protein design methods have recently been applied to problems in protein stabilization. Stabilized protein sequences can be designed by combining potential functions that model a protein sequence's compatibility with a structure and fast optimization tools that can search the enormous number of sequence possibilities.
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2023
This chapter looks at in silico drug design and how various software programs are used to assist the drug design process. It focuses on molecular modelling, which is key to structure-based drug design and de novo drug design. It also cites examples of how in silico drug design and specialist software programs are used in medicinal chemistry.
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This chapter looks at in silico drug design and how various software programs are used to assist the drug design process. It focuses on molecular modelling, which is key to structure-based drug design and de novo drug design. It also cites examples of how in silico drug design and specialist software programs are used in medicinal chemistry.
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In Silico Approaches to the Design of NS5A Inhibitors
Current Topics in Medicinal Chemistry, 2016In recent years, nonstructural protein 5A (NS5A) has rapidly emerged as a promising therapeutic target for Hepatitis C (HCV) virus therapy. It is involved in both viral RNA replication and virus assembly and NS5A plays a critical role in the regulation of HCV life cycle. NS5A replication complex inhibitors (NS5A RCIs) have demonstrated strong antiviral
Yan A, Ivanenkov +10 more
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2019
Drug design is paramount needed and expensive: resistance to antibiotics is always a problem, cancer therapy is often not yet fully satisfactory, several disease could still benefit of therapies characterized by increased efficacy and/or decreased toxicity, not to mention rare diseases less stimulating research because of economical trade off.
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Drug design is paramount needed and expensive: resistance to antibiotics is always a problem, cancer therapy is often not yet fully satisfactory, several disease could still benefit of therapies characterized by increased efficacy and/or decreased toxicity, not to mention rare diseases less stimulating research because of economical trade off.
openaire +4 more sources
In Silico PCR Primer Designing and Validation
2015Polymerase chain reaction (PCR) is an enzymatic reaction whose efficiency and sensitivity largely depend on the efficiency of the primers that are used for the amplification of a concerned gene/DNA fragment. Selective amplification of nucleic acid molecules initially present in minute quantities provides a powerful tool for analyzing nucleic acids.
Anil, Kumar, Nikita, Chordia
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In Silico Design of Functional DNA Constructs
2012The promise of synthetic biology lies in the creation of novel function from the proper combination of genetic elements. De novo gene synthesis has become a cost-effective method for building virtually any conceptualized genetic construct, removing the constraints of extant sequences, and greatly facilitating study of the relationships between gene ...
Alan, Villalobos +2 more
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