scholarly journals Rational design strategies for functional reconstitution of plant cytochrome P450s in microbial systems

2021 ◽  
Vol 60 ◽  
pp. 102005
Author(s):  
Anqi Zhou ◽  
Kang Zhou ◽  
Yanran Li
Keyword(s):  
Rational Design ◽  
Cytochrome P450s ◽  
Design Strategies ◽  
Microbial Systems

scholarly journals Polymeric micelles and molecular modeling applied to the development of radiopharmaceuticals

2012 ◽  
Vol 48 (1) ◽  
pp. 1-16 ◽  
Author(s):  
Sibila Roberta Marques Grallert ◽  
Carlota de Oliveira Rangel-Yagui ◽  
Kerly Fernanda Mesquita Pasqualoto ◽  
Leoberto Costa Tavares
Keyword(s):  
Molecular Modeling ◽  
Rational Design ◽  
Polymeric Micelles ◽  
Single Photon ◽  
Photon Emission ◽  
Disease Process ◽  
Diagnostic Techniques ◽  
Emission Computed Tomography ◽  
Amphiphilic Copolymers ◽  
Design Strategies

Micelles composed of amphiphilic copolymers linked to a radioactive element are used in nuclear medicine predominantly as a diagnostic application. A relevant advantage of polymeric micelles in aqueous solution is their resulting particle size, which can vary from 10 to 100 nm in diameter. In this review, polymeric micelles labeled with radioisotopes including technetium (99mTc) and indium (111In), and their clinical applications for several diagnostic techniques, such as single photon emission computed tomography (SPECT), gamma-scintigraphy, and nuclear magnetic resonance (NMR), were discussed. Also, micelle use primarily for the diagnosis of lymphatic ducts and sentinel lymph nodes received special attention. Notably, the employment of these diagnostic techniques can be considered a significant tool for functionally exploring body systems as well as investigating molecular pathways involved in the disease process. The use of molecular modeling methodologies and computer-aided drug design strategies can also yield valuable information for the rational design and development of novel radiopharmaceuticals.

scholarly journals Research fronts of Chemical Biology

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Shanshan Lv
Keyword(s):  
High Throughput Screening ◽  
Drug Targets ◽  
Chemical Biology ◽  
Rational Design ◽  
Future Research ◽  
Design Strategies ◽  
Binding Assays ◽  
Cellular Mechanisms ◽  
Diagnostic Technologies

Abstract Over the past decades, researchers have witnessed substantially increasing and ever-growing interests and efforts in Chemical Biology studies, thanks to the development of genome and epi-genome sequencing (revealing potential drug targets), synthetic chemistry (producing new medicines), bioorthogonal chemistry (chemistry in living systems) and high-throughput screening technologies (in vitro cell systems, protein binding assays and phenotypic assays). This report presents literature search results for current research in Chemical Biology, to explore basic principles, summarize recent advances, identify key challenges, and provide suggestions for future research (with a focus on Chemical Biology in the context of human health and diseases). Chemical Biology research can positively contribute to delivering a better understanding of the molecular and cellular mechanisms that accompany pathology underlying diseases, as well as developing improved methods for diagnosis, drug discovery, and therapeutic delivery. While much progress has been made, as shown in this report, there are still further needs and opportunities. For instance, pressing challenges still exist in selecting appropriate targets in biological systems and adopting more rational design strategies for the development of innovative and sustainable diagnostic technologies and medical treatments. Therefore, more than ever, researchers from different disciplines need to collaborate to address the challenges in Chemical Biology.

scholarly journals Pathogenic Viruses Commonly Present in the Oral Cavity and Relevant Antiviral Compounds Derived from Natural Products

Medicines ◽  
2018 ◽  
Vol 5 (4) ◽  
pp. 120 ◽  
Author(s):  
Daisuke Asai ◽  
Hideki Nakashima
Keyword(s):  
Natural Products ◽  
Oral Cavity ◽  
Rational Design ◽  
Large Scale ◽  
Antiviral Agents ◽  
Marine Sponges ◽  
Design Strategies ◽  
Screening Programs ◽  
Human Oral Cavity ◽  
Antiviral Compounds

Many viruses, such as human herpesviruses, may be present in the human oral cavity, but most are usually asymptomatic. However, if individuals become immunocompromised by age, illness, or as a side effect of therapy, these dormant viruses can be activated and produce a variety of pathological changes in the oral mucosa. Unfortunately, available treatments for viral infectious diseases are limited, because (1) there are diseases for which no treatment is available; (2) drug-resistant strains of virus may appear; (3) incomplete eradication of virus may lead to recurrence. Rational design strategies are widely used to optimize the potency and selectivity of drug candidates, but discovery of leads for new antiviral agents, especially leads with novel structures, still relies mostly on large-scale screening programs, and many hits are found among natural products, such as extracts of marine sponges, sea algae, plants, and arthropods. Here, we review representative viruses found in the human oral cavity and their effects, together with relevant antiviral compounds derived from natural products. We also highlight some recent emerging pharmaceutical technologies with potential to deliver antivirals more effectively for disease prevention and therapy.

Lanthanide Doped Complexes and Organometallic Clusters: Design Strategies and their Applications in Biology and Photonics

2019 ◽  
Vol 9 (3) ◽  
pp. 166-217 ◽  
Author(s):  
Gangadharan A. Kumar
Keyword(s):  
Nanostructured Materials ◽  
Rational Design ◽  
Near Infrared ◽  
Organic Ligand ◽  
Central Core ◽  
Design Strategies ◽  
Ceramic Core ◽  
Light Emitting ◽  
Potential Applications ◽  
Lanthanide Atoms

In this review, we discuss the rational design of a new class of lanthanide-doped organometallic nanostructured materials called `molecular minerals`. Molecular minerals are nanostructured materials with a ceramic core made from chalcogenide groups and other heavy metals. Part of the central core atoms is replaced by suitable lanthanide atoms to impart fluorescent spectral properties. The ceramic core is surrounded by various types of organic networks thus making the structure partly ceramic and organic. The central core has superior optical properties and the surrounding organic ligand makes it easy to dissolve several kinds of organic solvents and fluoropolymers to make several kinds of active and passive photonic devices. This chapter starts with elaborate design strategies of lanthanidebased near-infrared emitting materials followed by the experimental results of selected near-infrared emitting lanthanide clusters. Finally, their potential applications in telecommunication, light-emitting diodes and medical imaging are discussed.

scholarly journals The Rational Design and Biological Mechanisms of Nanoradiosensitizers

Nanomaterials ◽  
2020 ◽  
Vol 10 (3) ◽  
pp. 504 ◽  
Author(s):  
Hainan Sun ◽  
Xiaoling Wang ◽  
Shumei Zhai
Keyword(s):  
Oxidative Stress ◽  
Cell Cycle ◽  
Dna Damage ◽  
Rational Design ◽  
Design Strategies ◽  
Biological Mechanisms ◽  
Normal Tissues ◽  
Current State

Radiotherapy (RT) has been widely used for cancer treatment. However, the intrinsic drawbacks of RT, such as radiotoxicity in normal tissues and tumor radioresistance, promoted the development of radiosensitizers. To date, various kinds of nanoparticles have been found to act as radiosensitizers in cancer radiotherapy. This review focuses on the current state of nanoradiosensitizers, especially the related biological mechanisms, and the key design strategies for generating nanoradiosensitizers. The regulation of oxidative stress, DNA damage, the cell cycle, autophagy and apoptosis by nanoradiosensitizers in vitro and in vivo is highlighted, which may guide the rational design of therapeutics for tumor radiosensitization.

ChemInform Abstract: Rational Design Strategies for Industrial Catalysts

ChemInform ◽  
2010 ◽  
Vol 41 (46) ◽  
pp. no-no
Author(s):  
Saeed Alerasool ◽  
C. P. Kelkar ◽  
Robert J. Farrauto
Keyword(s):  
Rational Design ◽  
Design Strategies

scholarly journals Efficient production of Aschersonia placenta protoplasts for transformation using optimization algorithms

2016 ◽  
Vol 62 (7) ◽  
pp. 579-587 ◽  
Author(s):  
Xiuyan Wei ◽  
Xinyue Song ◽  
Dong Dong ◽  
Nemat O. Keyhani ◽  
Lindan Yao ◽  
...  
Keyword(s):  
Rational Design ◽  
Pathogenic Fungus ◽  
Scale Insects ◽  
Critical Parameters ◽  
Selection Marker ◽  
Efficient Production ◽  
Design Strategies ◽  
Osmotic Stabilizer ◽  
Optimized Protocol ◽  
Protoplast Production

The insect pathogenic fungus Aschersonia placenta is a highly effective pathogen of whiteflies and scale insects. However, few genetic tools are currently available for studying this organism. Here we report on the conditions for the production of transformable A. placenta protoplasts using an optimized protocol based on the response surface method (RSM). Critical parameters for protoplast production were modelled by using a Box–Behnken design (BBD) involving 3 levels of 3 variables that was subsequently tested to verify its ability to predict protoplast production (R2 = 0.9465). The optimized conditions resulted in the highest yield of protoplasts ((4.41 ± 0.02) × 107 cells/mL of culture, mean ± SE) when fungal cells were treated with 26.1 mg/mL of lywallzyme for 4 h of digestion, and subsequently allowed to recover for 64.6 h in 0.7 mol/L NaCl–Tris buffer. The latter was used as an osmotic stabilizer. The yield of protoplasts was approximately 10-fold higher than that of the nonoptimized conditions. Generated protoplasts were transformed with vector PbarGPE containing the bar gene as the selection marker. Transformation efficiency was 300 colonies/(μg DNA·107 protoplasts), and integration of the vector DNA was confirmed by PCR. The results show that rational design strategies (RSM and BBD methods) are useful to increase the production of fungal protoplasts for a variety of downstream applications.

scholarly journals A polyalanine peptide derived from polar fish with anti-infectious activities

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Marlon H. Cardoso ◽  
Suzana M. Ribeiro ◽  
Diego O. Nolasco ◽  
César de la Fuente-Núñez ◽  
Mário R. Felício ◽  
...  
Keyword(s):  
Mammalian Cells ◽  
Bacterial Infections ◽  
Rational Design ◽  
Pathogenic Bacteria ◽  
Cd Spectroscopy ◽  
Design Strategies ◽  
Promising Alternative ◽  
Gram Negative ◽  
Bacterial Surface ◽  
Polar Fish

Abstract Due to the growing concern about antibiotic-resistant microbial infections, increasing support has been given to new drug discovery programs. A promising alternative to counter bacterial infections includes the antimicrobial peptides (AMPs), which have emerged as model molecules for rational design strategies. Here we focused on the study of Pa-MAP 1.9, a rationally designed AMP derived from the polar fish Pleuronectes americanus. Pa-MAP 1.9 was active against Gram-negative planktonic bacteria and biofilms, without being cytotoxic to mammalian cells. By using AFM, leakage assays, CD spectroscopy and in silico tools, we found that Pa-MAP 1.9 may be acting both on intracellular targets and on the bacterial surface, also being more efficient at interacting with anionic LUVs mimicking Gram-negative bacterial surface, where this peptide adopts α-helical conformations, than cholesterol-enriched LUVs mimicking mammalian cells. Thus, as bacteria present varied physiological features that favor antibiotic-resistance, Pa-MAP 1.9 could be a promising candidate in the development of tools against infections caused by pathogenic bacteria.

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