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Medicinal chemistry

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https://www.readbyqxmd.com/read/28427617/effects-of-ultrasound-on-microbial-growth-and-enzyme-activity
#1
REVIEW
Guoping Huang, Suwan Chen, Chunhua Dai, Ling Sun, Wenli Sun, Yingxiu Tang, Feng Xiong, Ronghai He, Haile Ma
Nowadays, ultrasound is widely used in many aspects. In the last few years, many papers have concentrated on the applications of ultrasound in engineering, chemistry, medicine, physics and biology, but few in biological effects such as the acceleration effects on proliferation of microbial cells, the inactivation effects on microorganisms and the influences on the activities of enzyme. Thus, the objective of this review is to investigate the biological effects of ultrasound on these aspects.
July 2017: Ultrasonics Sonochemistry
https://www.readbyqxmd.com/read/28426179/novel-selective-and-developable-dopamine-d3-antagonists-with-modified-amino-region
#2
Fabrizio Micheli
This minireview describes the presentation made at the XXIV National Meeting in Medicinal Chemistry held in Perugia (Italy) in 2016, September 11-14. It relates to the discovery of novel templates of the so called "amino" region of the Dopamine D3 antagonists. Moving from the early scaffolds which were modified in the amine portion, the review describes the variations which led to the discovery of new systems which were published in 2016 allowing the identification of molecules endowed of great selectivity over DA D2 receptor and hERG channel...
April 20, 2017: ChemMedChem
https://www.readbyqxmd.com/read/28423961/thank-you-to-reviewers-for-the-journal-of-enzyme-inhibition-and-medicinal-chemistry-2015
#3
(no author information available yet)
No abstract text is available yet for this article.
August 2016: Journal of Enzyme Inhibition and Medicinal Chemistry
https://www.readbyqxmd.com/read/28421750/how-frequently-are-pan-assay-interference-compounds-active-large-scale-analysis-of-screening-data-reveals-diverse-activity-profiles-low-global-hit-frequency-and-many-consistently-inactive-compounds
#4
Swarit Jasial, Ye Hu, Jürgen Bajorath
Undetected pan assay interference compounds (PAINS) with false-positive activities in assays often propagate through medicinal chemistry programs and compromise their outcome. Although a large number of PAINS have been classified, often on the basis of individual studies or chemical experience, little has been done so far to systematically assess their activity profiles. Herein, we report a large-scale analysis of the behaviour of PAINS in biological screening assays. More than 23,000 extensively tested compounds containing PAINS substructures were identified and their hit rates determined...
April 19, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28421385/in-vitro-and-in-vivo-anti-tumor-effects-of-selected-platinum-iv-and-dinuclear-platinum-ii-complexes-against-lung-cancer-cells
#5
Milos Arsenijevic, Marija Milovanovic, Snezana Jovanovic, Natalija Arsenijevic, Bojana Simovic Markovic, Marina Gazdic, Vladislav Volarevic
In the present study, cytotoxic effects of cisplatin, the most usually used chemotherapeutic agent, were compared with new designed platinum(IV) ([PtCl4(en)] (en = ethylenediamine) and [PtCl4(dach)]) (dach = (±)-trans-1,2-diaminocyclohexane) and platinum(II) complexes ([{trans-Pt(NH3)2Cl}2(μ-pyrazine)](ClO4)2 (Pt1), [{trans-Pt(NH3)2Cl}2(μ-4,4'-bipyridyl)](ClO4)2DMF(Pt2),[{trans-Pt(NH3)2Cl}2(μ-1,2-bis(4pyridyl)ethane)](ClO4)2 (Pt3)), in vitro and in vivo against human and murine lung cancer cells, to determine anti-tumor potential of newly synthesized platinum-based drugs in the therapy of lung cancer...
April 18, 2017: Journal of Biological Inorganic Chemistry: JBIC
https://www.readbyqxmd.com/read/28420136/discovery-of-an-octahedral-silicon-complex-as-a-potent-antifungal-agent
#6
Chen Fu, Bin Fu, Xixi Peng, Guojian Liao
Octahedral transition metal complexes have been shown to have tremendous applications in chemical biology and medicinal chemistry. Meanwhile, structural transition metals can be replaced by inert octahedral silicon in a proof-of-principle study. We here introduce the first example of octahedral silicon complexes, which can very well serve as an efficient antimicrobial agent. The typical silicon arenediolate complex 1 {[(phen)₂Si(OO)](PF₆)₂, with phen = 1,10-phenanthroline, OO = 9,10-phenanthrenediolate} exhibited significant inhibition towards the growth of Cryptococcus neoformans with MIC and MFC values of 4...
April 15, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28417091/biological-activities-of-curcuminoids-other-biomolecules-from-turmeric-and-their-derivatives-a-review
#7
REVIEW
Augustine Amalraj, Anitha Pius, Sreerag Gopi, Sreeraj Gopi
In recent years, several drugs have been developed deriving from traditional products and current drug research is actively investigating the possible therapeutic roles of many Ayruvedic and Traditional Indian medicinal therapies. Among those being investigated is Turmeric. Its most important active ingredient is curcuminoids. Curcuminoids are phenolic compounds commonly used as a spice, pigment and additive also utilized as a therapeutic agent used in several foods. Comprehensive research over the last century has revealed several important functions of curcuminoids...
April 2017: Journal of Traditional and Complementary Medicine
https://www.readbyqxmd.com/read/28416279/the-impact-of-work-life-balance-on-intention-to-stay-in-academia-results-from-a-national-survey-of-pharmacy-faculty
#8
Tristan Lindfelt, Eric J Ip, Alejandra Gomez, Mitchell J Barnett
PURPOSE: Border-Crossing theory suggests work-life balance and career satisfaction are inter-related and disappointment in work-life balance may predict changes in one's career path. Application of this theory to health profession faculty is plausible but has not been fully explored. The purpose of this study is to examine factors related to reported career change intention among United States pharmacy school faculty and to determine if Border-Crossing theory fits these observations. METHODS: Results from a national web-based survey administered via Qualtrics(®) to American Association of Colleges of Pharmacy (AACP) members were utilized...
April 13, 2017: Research in Social & Administrative Pharmacy: RSAP
https://www.readbyqxmd.com/read/28414923/determining-the-true-selectivity-profile-of-%C3%AE-v-integrin-ligands-using-radioligand-binding-applying-an-old-solution-to-a-new-problem
#9
James E Rowedder, Steve B Ludbrook, Robert J Slack
The arginyl-glycinyl-aspartic acid (RGD) integrin subfamily contains five members that partner with the αv subunit: αvβ1, αvβ3, αvβ5, αvβ6, and αvβ8. Within the αv integrins, the epithelially restricted αvβ6 has been identified as playing a key role in the activation of transforming growth factor β that is hypothesized to be pivotal in the development of idiopathic pulmonary fibrosis (IPF). As part of a drug discovery program to identify a selective αvβ6 RGD mimetic for IPF, cell adhesion and radioligand binding assays were investigated to screen compounds to determine affinity and αv integrin selectivity...
April 1, 2017: SLAS Discovery
https://www.readbyqxmd.com/read/28413951/an-unprecedented-revolution-in-medicinal-chemistry-driven-by-the-progress-of-biological-science
#10
Kuo-Chen Chou
The eternal or ultimate goal of medicinal chemistry is to find most effective ways to treat various diseases and extend human beings' life as long as possible. Human being is a biological entity. To realize such an ultimate goal, the inputs or breakthroughs from the advances in biological science are no doubt most important that may even drive medicinal science into a revolution. In this review article, we are to address this from several different angles.
April 14, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28413749/targeted-fluoro-positioning-for-the-discovery-of-a-potent-and-highly-selective-matrix-metalloproteinase-inhibitor
#11
Thomas Fischer, Rainer Riedl
The incorporation of fluorine atoms into functional molecules is of wide interest in synthetic organic chemistry as well as cognate disciplines. In particular, in medicinal chemistry, there is a strong desire to positively influence the physicochemical molecular properties of drug compounds by introducing fluorine into biologically active molecules. Here, we present targeted fluoro positioning as the key design principle of converting a weak matrix metalloproteinase-13 (MMP-13) inhibitor into a very potent (IC50=6 nm) and highly selective (selectivity factors of >1000 over MMP-1, 2, 3, 7, 8, 9, 10, 12, 14) inhibitor with excellent plasma and microsomal stability, and no binding to the hERG channel (hERG: human ether-a-go-go related gene)...
April 2017: ChemistryOpen
https://www.readbyqxmd.com/read/28412530/indoles-as-therapeutics-of-interest-in-medicinal-chemistry-bird-s-eye-view
#12
REVIEW
Navriti Chadha, Om Silakari
Indoles constitute extensively explored heterocyclic ring systems with wide range of applications in pathophysiological conditions that is, cancer, microbial and viral infections, inflammation, depression, migraine, emesis, hypertension, etc. Presence of indole nucleus in amino acid tryptophan makes it prominent in phytoconstituents such as perfumes, neurotransmitters, auxins (plant hormones), indole alkaloids etc. The interesting molecular architecture of indole makes them suitable candidates for the drug development...
April 5, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28411477/comparative-surface-energetic-study-of-matrigel-%C3%A2-and-collagen-i-interactions-with-endothelial-cells
#13
Michael J Hill, Debanjan Sarkar
Understanding of the surface energetic aspects of the spontaneously deposited proteins on biomaterial surfaces and how this influences cell adhesion and differentiation is an area of regenerative medicine that has not received adequate attention. Current controversies surround the role of the biomaterial substratum surface chemistry, the range of influence of said substratum, and the effects of different surface energy components of the protein interface. Endothelial cells (ECs) are a highly important cell type for regenerative medicine applications, such as tissue engineering, and In-vivo they interact with collagen I based stromal tissue and basement membranes producing different behavioral outcomes...
April 4, 2017: Colloids and Surfaces. B, Biointerfaces
https://www.readbyqxmd.com/read/28409625/privileged-structural-motif-detection-and-analysis-using-generative-topographic-maps
#14
Shilva Kayastha, Dragos Horvath, Erik Gilberg, Michael Gütschow, Jürgen Bajorath, Alexandre Varnek
Identification of "privileged structural motifs" associated with specific target families is of particular importance for designing novel bioactive compounds. Here, we demonstrate that they can be extracted from a data distribution represented on a two-dimensional map obtained by Generative Topographic Mapping (GTM) . In GTM, structurally related molecules are grouped together on the map. Zones of the map preferentially populated by target-specific compounds were delineated, which helped to capture common substructures on the basis of which these compounds were grouped together by the GTM...
April 14, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28408902/the-naturally-occurring-host-defense-peptide-ll-37-and-its-truncated-mimetics-ke-18-and-kr-12-have-selected-biocidal-and-antibiofilm-activities-against-candida-albicans-staphylococcus-aureus-and-escherichia-coli-in-vitro
#15
Yu Luo, Denise T F McLean, Gerard J Linden, Danny F McAuley, Ronan McMullan, Fionnuala T Lundy
Amongst the recognized classes of naturally occurring antimicrobials, human host defense peptides are an important group with an advantage (given their source) that they should be readily translatable to medicinal products. It is also plausible that truncated versions will display some of the biological activities of the parent peptide, with the benefit that they are less costly to synthesize using solid-phase chemistry. The host defense peptide, LL-37, and two truncated mimetics, KE-18 and KR-12, were tested for their inhibitory effects and antibiofilm properties against Candida albicans, Staphylococcus aureus, and Escherichia coli, microorganisms commonly implicated in biofilm-related infections such as ventilator-associated pneumonia (VAP)...
2017: Frontiers in Microbiology
https://www.readbyqxmd.com/read/28408230/discovery-of-lrrk2-inhibitors-by-using-an-ensemble-of-virtual-screening-methods
#16
Emanuela Gancia, Marcel De Groot, Brenda Burton, David E Clark
In this paper, we present the results of a ligand- and structure-based virtual screen targeting LRRK2, a kinase that has been implicated in Parkinson's disease. For the ligand-based virtual screen, the structures of 12 competitor compounds were used as queries for a variety of 2D and 3D searches. The structure-based virtual screen relied on homology models of LRRK2, as no X-ray structure is currently available in the public domain. From the virtual screening, 662 compounds were purchased, of which 35 showed IC50 values below 10μM in wild-type and/or mutant LRRK2 (a hit rate of 5...
April 2, 2017: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28408223/pharmacological-property-optimization-for-allosteric-ligands-a-medicinal-chemistry-perspective
#17
REVIEW
Shawn Johnstone, Jeffrey S Albert
New strategies to potentially improve drug safety and efficacy emerge with allosteric programs. Biased allosteric modulators can be designed with high subtype selectivity and defined receptor signaling endpoints, however, selecting the most meaningful parameters for optimization can be perplexing. Historically, "potency hunting" at the expense of physicochemical and pharmacokinetic optimization has led to numerous tool compounds with excellent pharmacological properties but no path to drug development. Conversely, extensive physicochemical and pharmacokinetic screening with only post hoc bias and allosteric characterization has led to inefficacious compounds or compounds with on-target toxicities...
April 3, 2017: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28407594/trifluoromethyl-arylamides-with-antileukemia-effect-and-intracellular-inhibitory-activity-over-serine-arginine-rich-protein-kinases-srpks
#18
Raoni Pais Siqueira, Marcus Vinícius de Andrade Barros, Éverton de Almeida Alves Barbosa, Thiago Souza Onofre, Victor Hugo Sousa Gonçalves, Higor Sette Pereira, Abelardo Silva Júnior, Leandro Licursi de Oliveira, Márcia Rogéria Almeida, Juliana Lopes Rangel Fietto, Róbson Ricardo Teixeira, Gustavo Costa Bressan
The serine/arginine-rich protein kinases (SRPKs) have frequently been found with altered activity in a number of cancers, suggesting they could serve as potential therapeutic targets in oncology. Here we describe the synthesis of a series of twenty-two trifluoromethyl arylamides based on the known SRPKs inhibitor N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)isonicotinamide (SRPIN340) and the evaluation of their antileukemia effects. Some derivatives presented superior cytotoxic effects against myeloid and lymphoid leukemia cell lines compared to SRPIN340...
March 31, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28406767/homeostatic-model-assessment-for-insulin-resistance-homa-ir-a-better-marker-for-evaluating-insulin-resistance-than-fasting-insulin-in-women-with-polycystic-ovarian-syndrome
#19
Hafsa Majid, Qamar Masood, Aysha Habib Khan
OBJECTIVE: To assess the utility of HOMA-IR in assessing insulin resistance in patients with polycystic ovary syndrome (PCOS) and compare it with fasting insulin for assessing insulin resistance (IR). STUDY DESIGN: Observational study. PLACE AND DURATION OF STUDY: Section of Clinical Chemistry, Department of Pathology and Laboratory Medicine, The Aga Khan University Hospital, Karachi, from January 2009 to September 2012. METHODOLOGY: Medical chart review of all women diagnosed with PCOS was performed...
March 2017: Journal of the College of Physicians and Surgeons—Pakistan: JCPSP
https://www.readbyqxmd.com/read/28406078/editorial-hybrid-compounds-as-multitarget-agents-in-medicinal-chemistry-part-i
#20
EDITORIAL
Luciana Scotti, Francisco J B Mendonca-Junior, Marcus T Scotti
No abstract text is available yet for this article.
2017: Current Topics in Medicinal Chemistry
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