Results 251 to 260 of about 115,710,970 (297)

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. Natural antimicrobial peptides (AMPs) represent a novel class of molecules with a broad spectrum of activity and a low rate in inducing ...
Maccari, Giuseppe, Di Luca, Mariagrazia, Nifosì, Riccardo   +2 more
openaire   +5 more sources

In Silico Structure-Based Vaccine Design

2023
Structure-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, David, Winkler, Yoshikazu, Honda-Okubo, Varun, Khanna, Nikolai, Petrovsky   +4 more
openaire   +2 more sources

In Silico Design of Anticancer Peptides

2017
In the past few years, small peptides having anticancer properties have emerged as a potential avenue for cancer therapy. Compared to current anti-cancer chemotherapeutic drugs (or small molecules), anticancer peptides (ACPs) have numerous advantageous properties, such as high specificity, low production cost, high tumor penetration, ease of synthesis ...
Shailesh, Kumar, Hui, Li
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In Silico Adjuvant Design and Validation

2016
Adjuvants 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, Péré, Hélène, Bosschem, Iris, Haesebrouck, Freddy, Flahou, Bram, Tartour, Eric, Flower, Darren, Tough, David, Bayry, Jagadeesh   +8 more
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In Silico Design of Small Molecules

2011
Computational 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
openaire   +2 more sources

In silico design for protein stabilization

Current Opinion in Biotechnology, 1999
Newly 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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In Silico Approaches to the Design of NS5A Inhibitors

Current Topics in Medicinal Chemistry, 2016
In 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, Mark S, Veselov, Vladimir A, Aladinskiy, Artem G, Shakhbazyan, Sofya M, Yartseva, Alexander G, Majouga, Anastasia V, Aladinskaya, Anton S, Vantskul, Sergey V, Leonov, Alexandre V, Ivachtchenko, Victor E, Koteliansky   +10 more
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In silico drug design

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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In Silico Drug Design

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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In Silico Methods for Drug Design and Discovery

2020
Computer-aided drug design (CADD) methodologies are playing an ever-increasing role in drug discovery that are critical in the cost-effective identification of promising drug candidates. These computational methods are relevant in limiting the use of animal models in pharmacological research, for aiding the rational design of novel and safe drug ...
Simone Brogi, Teodorico Castro Ramalho, Kamil Kuca, José L. Medina-Franco, Marian Valko   +4 more
openaire   +1 more source