Pyrazolopyrimidines as attractive pharmacophores in efficient drug design: A recent update
Sign Up to like & getrecommendations! Published in 2022 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.202200154
Abstract: Among the menacing diseases, cancer needs the most attention as millions of people are affected by it worldwide. Genetic and environmental factors play a pivotal role in causing cancer. Although a wide range of underlying… read more here.
Keywords: attractive pharmacophores; drug design; pyrazolopyrimidines attractive; drug ... See more keywords
Reaching toward underexplored targets in antibacterial drug design
Sign Up to like & getrecommendations! Published in 2019 at "Drug Development Research"
DOI: 10.1002/ddr.21465
Abstract: The increase of antimicrobial resistance necessitates the renewal and strong research involvement in antibacterial drug design. In the following work, we comment on the key approaches used in development of new antibacterials, focusing on intracellular… read more here.
Keywords: research; antibacterial drug; drug design; drug ... See more keywords
Identification of novel inhibitors for Prp protein of Mycobacterium tuberculosis by structure based drug design, and molecular dynamics simulations
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26823
Abstract: In this study, we assess the effective inhibition of a series of thiazolidine derivatives (1a–1q) were adopting structure‐based drug design. Thiazolidine is a five‐membered ring structure with thioether and amino groups at positions 1 and… read more here.
Keywords: structure; tuberculosis; chemistry; drug design ... See more keywords
Computational Approaches for De Novo Drug Design: Past, Present, and Future
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DOI: 10.1007/978-1-0716-0826-5_6
Abstract: Drug discovery is time- and resource-consuming. To this end, computational approaches that are applied in de novo drug design play an important role to improve the efficiency and decrease costs to develop novel drugs. Over… read more here.
Keywords: future; drug design; novo drug; drug ... See more keywords
Investigation of the Click-Chemical Space for Drug Design Using ZINClick.
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DOI: 10.1007/978-1-0716-1209-5_1
Abstract: This chapter provides a brief overview of the applications of ZINClick virtual library. In the last years, we have investigated the click-chemical space covered by molecules containing the triazole ring and generated a database of… read more here.
Keywords: space; investigation click; space drug; drug design ... See more keywords
Ligand-Receptor Interactions and Drug Design.
Sign Up to like & getrecommendations! Published in 2021 at "Methods in molecular biology"
DOI: 10.1007/978-1-0716-1209-5_5
Abstract: In silico rational drug design is one of the major pylons in the drug discovery process. Drugs usually act on specific targets such as proteins, DNA, and lipid bilayers. Thus, molecular docking is an essential part… read more here.
Keywords: drug design; drug; process; ligand ... See more keywords
Applications of Artificial Intelligence in Drug Design: Opportunities and Challenges.
Sign Up to like & getrecommendations! Published in 2022 at "Methods in molecular biology"
DOI: 10.1007/978-1-0716-1787-8_1
Abstract: Artificial intelligence (AI) has undergone rapid development in recent years and has been successfully applied to real-world problems such as drug design. In this chapter, we review recent applications of AI to problems in drug… read more here.
Keywords: drug; applications artificial; drug design; artificial intelligence ... See more keywords
Computer-Aided Drug Design Methods.
Sign Up to like & getrecommendations! Published in 2017 at "Methods in molecular biology"
DOI: 10.1007/978-1-4939-6634-9_5
Abstract: Computational approaches are useful tools to interpret and guide experiments to expedite the antibiotic drug design process. Structure-based drug design (SBDD) and ligand-based drug design (LBDD) are the two general types of computer-aided drug design… read more here.
Keywords: drug design; drug; aided drug; computer aided ... See more keywords
In Silico Drug Design: Non-peptide Mimetics for the Immunotherapy of Multiple Sclerosis.
Sign Up to like & getrecommendations! Published in 2018 at "Methods in molecular biology"
DOI: 10.1007/978-1-4939-8630-9_3
Abstract: Advances in theoretical chemistry have led to the development of various robust computational techniques employed in drug design. Pharmacophore modeling, molecular docking, and molecular dynamics (MD) simulations have been extensively applied, separately or in combination,… read more here.
Keywords: non peptide; drug design; drug; peptide mimetics ... See more keywords
Recent progress on elucidating the molecular mechanism of plasmid-mediated colistin resistance and drug design
Sign Up to like & getrecommendations! Published in 2019 at "International Microbiology"
DOI: 10.1007/s10123-019-00112-1
Abstract: Antibiotic resistance is a growing global challenge to public health. Polymyxin is considered to be the last-resort antibiotic against most gram-negative bacteria. Recently, discoveries of a plasmid-mediated, transferable mobilized polymyxin resistance gene ( mcr-1 )… read more here.
Keywords: mechanism; drug design; drug; plasmid mediated ... See more keywords
COVID-19: inflammatory responses, structure-based drug design and potential therapeutics
Sign Up to like & getrecommendations! Published in 2021 at "Molecular Diversity"
DOI: 10.1007/s11030-020-10176-1
Abstract: The COVID-19 pandemic caused by SARS-CoV-2 is responsible for the global health emergency. Here, we explore the diverse mechanisms of SARS-CoV-induced inflammation. We presume that SARS-CoV-2 likely contributes analogous inflammatory responses. Possible therapeutic mechanisms for… read more here.
Keywords: sars cov; inflammatory responses; drug design;