“…Synthesis and isolation of coumarins from different species have attracted the attention of medicinal chemists. Herein, we report the synthesis, molecular structure, dielectric, anticancer activity and docking studies with the potential target protein tankyrase. …”
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“…PWID continued to also procure needles from other sources, such as chemists. One hundred five PWID were referred to OST services and 267 for rehabilitation services. …”
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“…All these findings are very helpful for medicinal chemists to design and develop highly selective and more potent hCE1 inhibitors for biomedical applications.…”
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“…Finally, an interesting SAR analysis was concluded to help the future design of more potent HDACIs in the future by medicinal chemists.…”
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“…CONCLUSION: Natural compounds have always been a richest source of active compounds with a wide variety of structures, therefore, these compounds showed a special inspiration for medical chemists. The present study has aimed molecular docking and molecular dynamics simulation studies on taxifolin targeting W80R mutant protein of protein kinase B/serine- threonine kinase/AKT1 (EC:2.7.11.1) protein of ovarian cancer for designing therapeutic intervention. …”
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“…The gross nutritional composition of milk and dairy products was analyzed by applying an automated milk analyzer and the Association of Agricultural Chemists techniques, respectively. The cholesterol, FAs, and AAs contents of cheese, butter, and ghee were determined by the Bangladesh Council for Scientific and Industrial Research, Dhaka, Bangladesh. …”
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“…Furthermore, in an external validation for the multi-target compound screening, the performance of PortalCG surpassed the rational design from medicinal chemists. Our results also suggest that a differentiable sequence-structure-function deep learning framework, where protein structural information serves as an intermediate layer, could be superior to conventional methodology where predicted protein structures were used for the compound screening. …”
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“…These intriguing, unique properties have inspired supramolecular chemists to create similar chemically fueled molecular assemblies from the bottom up. …”
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“…These data are of significant value to catalysis researchers, materials scientists, and computational chemists, providing them with a detailed understanding of 2D noble metals' behavior as catalysts and enabling advancements in their respective studies. …”
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“…Now and in the future, we envision the use of DNA bases in making designer molecules for many challenging applications confronting chemists. With the further development of artificial DNA bases using smart organic synthesis, DNA macromolecules based on elegant molecular assembly approaches are expected to achieve great diversity, additional versatility, and advanced functions.…”
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“…By starting with function rather than structure, FOS places an initial emphasis on target design, thereby harnessing the power of chemists and computers to create new structures with desired functions that could be prepared in a simple, safe, economical, and green, if not ideal, fashion. …”
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“…We provide potential avenues medicinal chemists could use to achieve higher effective permeation, higher blood brain barrier (BBB) penetration, and higher aqueous solubility in FC101a. …”
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“…In this Account, we summarize recent advances in developing different types of molecular biodynamers as structural or functional biomimetics of biopolymers, including DyNAs, glycodynamers, and dynamic proteoids. We introduce how chemists utilize various reversible reactions to generate molecular biodynamers with specific sequences and well-ordered structures in aqueous medium. …”
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“…The full dataset is presented to inform chemists of the nature and magnitude of hazards when using diazo compounds and diazo transfer reagents. …”
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“…ABSTRACT: Designing anticoronavirus disease 2019 (anti-COVID-19) agents is the primary concern of medicinal chemists/drug designers nowadays. Repurposing of known active compounds against the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a new effective and time-saving trend in anti-COVID-19 drug discovery. …”
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“…This Account, written by trained chemists, reflects an academic research journey culminating in an appreciation of the importance of improving and enabling the overarching systems that plastics exist within. …”
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“…We predict that a better understanding of the effects of conformational restriction about a prospective atropisomeric axis on target binding will empower chemists to rapidly “program” the selectivity of a lead molecule toward a desired target.…”
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“…The design of new magnetic quantum materials, of spin-based quantum devices in low-dimensional geometries, and quantum nanomagnetic systems, using either physical or chemical techniques, has now become the concern of many applied physicists and chemists. An interesting by-product of this broader interest in collective quantum spin phenomena has been the increasing focus, by applied physicists and even start-up companies, on some of the more exotic theoretical ideas current in quantum magnetism. …”
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“…Although initially considered an esoteric reagent, SmI(2) has become a common tool for synthetic organic chemists. SmI(2) is generated through the addition of molecular iodine to samarium metal in THF.(1,2-3) It is a mild and selective single electron reductant and its versatility is a result of its ability to initiate a wide range of reductions including C-C bond-forming and cascade or sequential reactions. …”
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