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International Journal of Medicinal Chemistry

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https://www.readbyqxmd.com/read/29234526/usefulness-of-urea-as-a-means-of-improving-the-solubility-of-poorly-water-soluble-ascorbyl-palmitate
#1
Yutaka Inoue, Daichi Niiyama, Isamu Murata, Ikuo Kanamoto
The aim of this study was to evaluate complexes of L-ascorbyl palmitate (ASCP) and urea (UR). This evaluation involved differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), near-infrared spectroscopy (NIR), a solubility test, a 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging test, and a mushroom tyrosinase inhibition assay. Physicochemical evaluation revealed that ASCP/UR complexes form at a molar ratio of 1/12. The solubility test revealed that ASCP/UR complexes had increased solubility compared to ASCP...
2017: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29201461/fluorinated-adenosine-a2a-receptor-antagonists-inspired-by-preladenant-as-potential-cancer-immunotherapeutics
#2
Gengyang Yuan, Tanner C Jankins, Christopher G Patrick, Phaethon Philbrook, Olivia Sears, Stephen Hatfield, Michail Sitkovsky, Neil Vasdev, Steven H Liang, Mary Jo Ondrechen, Michael P Pollastri, Graham B Jones
Antagonism of the adenosine A2A receptor on T cells blocks the hypoxia-adenosinergic pathway to promote tumor rejection. Using an in vivo immunoassay based on the Concanavalin A mouse model, a series of A2A antagonists were studied and identified preladenant as a potent lead compound for development. Molecular modeling was employed to assist drug design and subsequent synthesis of analogs and those of tozadenant, including fluorinated polyethylene glycol PEGylated derivatives. The efficacy of the analogs was evaluated using two in vitro functional bioassays, and compound 29, a fluorinated triethylene glycol derivative of preladenant, was confirmed as a potential immunotherapeutic agent...
2017: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28656106/targeting-peroxisome-proliferator-activated-receptors-using-thiazolidinediones-strategy-for-design-of-novel-antidiabetic-drugs
#3
REVIEW
Neelaveni Thangavel, Mohammed Al Bratty, Sadique Akhtar Javed, Waquar Ahsan, Hassan A Alhazmi
Thiazolidinediones are a class of well-established antidiabetic drugs, also named as glitazones. Thiazolidinedione structure has been an important structural domain of research, involving design and development of new drugs for the treatment of type 2 diabetes. Extensive research on the mechanism of action and the structural requirements has revealed that the intended antidiabetic activity in type 2 diabetes is due to their agonistic effect on peroxisome proliferator-activated receptor (PPAR) belonging to the nuclear receptor super family...
2017: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28409029/biophysical-approaches-facilitate-computational-drug-discovery-for-atp-binding-cassette-proteins
#4
REVIEW
Steven V Molinski, Zoltán Bozóky, Surtaj H Iram, Saumel Ahmadi
Although membrane proteins represent most therapeutically relevant drug targets, the availability of atomic resolution structures for this class of proteins has been limited. Structural characterization has been hampered by the biophysical nature of these polytopic transporters, receptors, and channels, and recent innovations to in vitro techniques aim to mitigate these challenges. One such class of membrane proteins, the ATP-binding cassette (ABC) superfamily, are broadly expressed throughout the human body, required for normal physiology and disease-causing when mutated, yet lacks sufficient structural representation in the Protein Data Bank...
2017: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/27127651/benzyl-1-2-4-triazoles-as-cb-1-cannabinoid-receptor-ligands-preparation-and-in-vitro-pharmacological-evaluation
#5
Laura Hernandez-Folgado, Juan Decara, Fernando Rodríguez de Fonseca, Pilar Goya, Nadine Jagerovic
In a previous study, we have identified 3-alkyl-1,5-diaryl-1H-1,2,4-triazoles to be a novel class of cannabinoid type 1 receptor (CB1R) antagonists. In order to expand the number of cannabinoid ligands with a central 1,2,4-triazole scaffold, we have synthesized a novel series of 1-benzyl-1H-1,2,4-triazoles, and some of them were evaluated by CB1R radioligand binding assays. Compound 12a showed the most interesting pharmacological properties, possessing a CB1R affinity in the nanomolar range.
2016: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/27119022/ct-dna-binding-and-antibacterial-activity-of-octahedral-titanium-iv-heteroleptic-benzoylacetone-and-hydroxamic-acids-complexes
#6
Raj Kaushal, Sheetal Thakur, Kiran Nehra
Five structurally related titanium (IV) heteroleptic complexes, [TiCl2(bzac)(L(1-4))] and [TiCl3(bzac)(HL(5))]; bzac = benzoylacetonate; L(1-5) = benzohydroximate (L(1)), salicylhydroximate (L(2)), acetohydroximate (L(3)), hydroxyurea (L(4)), and N-benzoyl-N-phenyl hydroxylamine (L(5)), were used for the assessment of their antibacterial activities against ten pathogenic bacterial strains. The titanium (IV) complexes (1-5) demonstrated significant level of antibacterial properties as measured using agar well diffusion method...
2016: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/27057354/in-silico-designing-and-analysis-of-inhibitors-against-target-protein-identified-through-host-pathogen-protein-interactions-in-malaria
#7
Monika Samant, Nidhi Chadha, Anjani K Tiwari, Yasha Hasija
Malaria, a life-threatening blood disease, has been a major concern in the field of healthcare. One of the severe forms of malaria is caused by the parasite Plasmodium falciparum which is initiated through protein interactions of pathogen with the host proteins. It is essential to analyse the protein-protein interactions among the host and pathogen for better understanding of the process and characterizing specific molecular mechanisms involved in pathogen persistence and survival. In this study, a complete protein-protein interaction network of human host and Plasmodium falciparum has been generated by integration of the experimental data and computationally predicting interactions using the interolog method...
2016: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/27051530/new-conjugates-of-quinoxaline-as-potent-antitubercular-and-antibacterial-agents
#8
Ramalingam Peraman, Rajendran Kuppusamy, Sunil Kumar Killi, Y Padmanabha Reddy
Considering quinoxaline as a privileged structure for the design of potent intercalating agents, some new sugar conjugates of quinoxaline were synthesized and characterized by IR, (1)HNMR, (13)C NMR, and mass spectral data. In vitro testing for antitubercular and antimicrobial activities was performed against Mycobacterium tuberculosis H 37 Rv and some pathogenic bacteria. Results revealed that conjugate containing ribose moiety demonstrated the most promising activity against Mycobacteria and bacteria with minimum inhibitory concentrations (MIC) of 0...
2016: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/27022484/synthesis-in-vivo-anti-inflammatory-activity-and-molecular-docking-studies-of-new-isatin-derivatives
#9
Ravi Jarapula, Kiran Gangarapu, Sarangapani Manda, Sriram Rekulapally
A novel synthesis of 2-hydroxy-N'-(2-oxoindolin-3-ylidene) benzohydrazide derivatives was synthesized by the condensation of 2-hydroxybenzohydrazide with substituted isatins. The synthesized compounds were characterized by FT-IR, (1)H-NMR, and mass spectral data. Further, the compounds were screened for in vivo anti-inflammatory activity by carrageenan induced paw edema method. The tested compounds have shown mild-to-moderate anti-inflammatory activity. The compounds VIIc and VIId exhibited 65% and 63% of paw edema reduction, respectively...
2016: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/26998358/design-and-microwave-assisted-synthesis-of-coumarin-derivatives-as-pde-inhibitors
#10
Mahadev N Kumbar, Ravindra R Kamble, Atulkumar A Kamble, Sujith Raj Salian, Sandhya Kumari, Ramya Nair, Guruprasad Kalthur, Satish Kumar Adiga, D Jagadeesh Prasad
Coumarins appended to benzimidazole through pyrazole are designed and synthesized using microwave irradiation. These compounds were analyzed for phosphodiesterase (PDE) inhibition indirectly by motility pattern in human spermatozoa. Some of the synthesized compounds, namely, 5d, 5e, 5f, 5g, 5h, and 5k, have exhibited potent inhibitory activity on PDE.
2016: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/26998357/changes-in-the-physicochemical-properties-of-piperine-%C3%AE-cyclodextrin-due-to-the-formation-of-inclusion-complexes
#11
Toshinari Ezawa, Yutaka Inoue, Sujimon Tunvichien, Rina Suzuki, Ikuo Kanamoto
Piperine (PP) is a pungent component in black pepper that possesses useful biological activities; however it is practically insoluble in water. The aim of the current study was to prepare a coground mixture (GM) of PP and β-cyclodextrin (βCD) (molar ratio of PP/βCD = 1/1) and subsequently evaluate the solubility of PP and physicochemical properties of the GM. DSC thermal behavior of the GM showed the absence of melting peak of piperine. PXRD profile of the GM exhibited halo pattern and no characteristic peaks due to PP and βCD were observed...
2016: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/26989511/biological-impact-of-pd-ii-complexes-synthesis-spectral-characterization-in-vitro-anticancer-ct-dna-binding-and-antioxidant-activities
#12
Nitin Kumar Sharma, Rakesh Kumar Ameta, Man Singh
A new series of Pd (II) complexes of methyl substituted benzylamine ligands (BLs) has been synthesized and characterized via spectroscopic techniques such as UV/Vis. FTIR, LCMS, (1)H, and (13)C NMR. The UV/Vis study in DMSO, DMSO + water, and DMSO + PBS buffer (pH = 7.2) confirmed their molecular sustainability in liquids. Their in vitro anticancer activity against breast cancer cell lines such as MCF-7 and MDA-MB-231 makes them interesting for in vivo analysis. Their stronger DNA binding activity (DBA) compared with free ligand suggested them as a good DNA binder...
2016: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/26981281/syntheses-and-antibiotic-evaluation-of-2-2r-4r-4-carboxy-2-hydroxypyrrolidin-1-yl-carbonyl-benzene-1-5-dicarboxylic-acids-and-2-carbamoylbenzene-1-5-dicarboxylic-acid-analogues
#13
Abdulrazaq Tukur, Isaac Asusheyi Bello, Neil Anthony Koorbanally, James Dama Habila
Our search for new antibiotics led to the syntheses and biological evaluation of new classes of dicarboxylic acid analogues. The syntheses involve nucleophilic addition of different substituted benzylamine, aniline, alkylamine, and 4-hydroxyl-L-proline with carbamoylbenzoic acid. The results of the antimicrobial activity as indicated by the zone of inhibition (ZOI) showed that Z 10 is the most active against Pseudomonas aeruginosa (32 mm) and least active against Candida stellatoidea (27 mm) and Vancomycin Resistant Enterococci (VRE) (27 mm), while Z 7 shows the least zone of inhibition (22 mm) against Methicillin Resistant Staphylococcus aureus (MRSA)...
2016: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/26981280/synthesis-and-evaluation-of-mannitol-based-inhibitors-for-lipopolysaccharide-biosynthesis
#14
Richard E Johnsson
Antibiotic resistance is a serious threat against humankind and the need for new therapeutics is crucial. Without working antibiotics, diseases that we thought were extinct will come back. In this paper two new mannitol bisphosphate analogs, 1,6-dideoxy-1,6-diphosphoramidate mannitol and 1,6-dideoxy-1,6-dimethansulfonamide mannitol, have been synthesized and evaluated as potential inhibitors of the enzyme GmhB in the biosynthesis of lipopolysaccharides. 1,6-Dideoxy-1,6-diphosphoramidate mannitol showed promising result in computational docking experiments, but neither phosphate analog showed activity in the Kirby-Bauer antibiotic susceptibility test...
2016: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/26942008/a-review-on-platensimycin-a-selective-fabf-inhibitor
#15
REVIEW
Manik Das, Partha Sakha Ghosh, Kuntal Manna
Emerging resistance to existing antibiotics is an inevitable matter of concern in the treatment of bacterial infection. Naturally occurring unique class of natural antibiotic, platensimycin, a secondary metabolite from Streptomyces platensis, is an excellent breakthrough in recent antibiotic research with unique structural pattern and significant antibacterial activity. β-Ketoacyl-(acyl-carrier-protein (ACP)) synthase (FabF) whose Gram-positive bacteria need to biosynthesize cell membranes is the target of inhibition of platensimycin...
2016: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/26904285/antibacterial-properties-of-alkaloid-extracts-from-callistemon-citrinus-and-vernonia-adoensis-against-staphylococcus-aureus-and-pseudomonas-aeruginosa
#16
Donald Mabhiza, Tariro Chitemerere, Stanley Mukanganyama
The development of new antibiotics from new chemical entities is becoming more and more expensive, time-consuming, and compounded by emerging strains that are drug resistant. Alkaloids are plant secondary metabolites which have been shown to have potent pharmacological activities. The effect of alkaloids from Callistemon citrinus and Vernonia adoensis leaves on bacterial growth and efflux pump activity was evaluated on Staphylococcus aureus and Pseudomonas aeruginosa. At a concentration of 1.67 mg/mL, the alkaloids inhibited bacterial growth with comparable effects to ampicillin, a standard antibiotic...
2016: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/26881075/synthesis-and-anti-inflammatory-activity-of-some-o-propargylated-n-acetylpyrazole-derived-from-1-3-diarylpropenones
#17
Ashwani Kumar Dhingra, Bhawna Chopra, Rameshwar Dass, Sanjeev K Mittal
In search of novel effective potent therapeutic agents delivered by oral route for inflammation treatment, some novel O-propargylated-N-acetylpyrazole analogs (5a-j) were prepared by treating N-acetylpyrazole (4a-j) derived from 1,3-diarylpropenones (3a-j) with propargyl bromide. Claisen-Schmidt condensation of a series of substituted aryl ketones 1 and benzaldehydes 2 in glacial acetic acid afforded 1,3-diarylpropenones which on further treatment with hydrazine hydrate in acetic acid under reflux conditions afforded 1-acetyl-3,5-diaryl-4,5-dihydro(1H)pyrazoles (4a-j)...
2016: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/26798517/p-sulfonic-acid-calix-4-arene-as-an-efficient-catalyst-for-one-pot-synthesis-of-pharmaceutically-significant-coumarin-derivatives-under-solvent-free-condition
#18
Hamed Tashakkorian, Moslem Mansour Lakouraj, Mona Rouhi
One-pot and efficient protocol for preparation of some potent pharmaceutically valuable coumarin derivatives under solvent-free condition via direct coupling using biologically nontoxic organocatalyst, calix[4]arene tetrasulfonic acid (CSA), was introduced. Calix[4]arene sulfonic acid has been incorporated lately as a magnificent and recyclable organocatalyst for the synthesis of some organic compounds. Nontoxicity, solvent-free conditions, good-to-excellent yields for pharmaceutically significant structures, and especially ease of catalyst recovery make this procedure valuable and environmentally benign...
2015: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/26682068/a-review-of-the-updated-pharmacophore-for-the-alpha-5-gaba-a-benzodiazepine-receptor-model
#19
REVIEW
Terry Clayton, Michael M Poe, Sundari Rallapalli, Poonam Biawat, Miroslav M Savić, James K Rowlett, George Gallos, Charles W Emala, Catherine C Kaczorowski, Douglas C Stafford, Leggy A Arnold, James M Cook
An updated model of the GABA(A) benzodiazepine receptor pharmacophore of the α5-BzR/GABA(A) subtype has been constructed prompted by the synthesis of subtype selective ligands in light of the recent developments in both ligand synthesis, behavioral studies, and molecular modeling studies of the binding site itself. A number of BzR/GABA(A) α5 subtype selective compounds were synthesized, notably α5-subtype selective inverse agonist PWZ-029 (1) which is active in enhancing cognition in both rodents and primates...
2015: International Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/25834744/synthesis-and-biological-activity-of-arylspiroborate-salts-derived-from-caffeic-acid-phenethyl-ester
#20
Martin J G Hébert, Andrew J Flewelling, Trevor N Clark, Natalie A Levesque, Jacques Jean-François, Marc E Surette, Christopher A Gray, Christopher M Vogels, Mohamed Touaibia, Stephen A Westcott
Two novel boron compounds containing caffeic acid phenethyl ester (CAPE) derivatives have been prepared and characterized fully. These new compounds and CAPE have been investigated for potential antioxidant and antimicrobial properties and their ability to inhibit 5-lipoxygenase and whether chelation to boron improves their biological activity. Sodium salt 4 was generally more active than ammonium salt 5 in the biological assays and surpassed the radical scavenging ability of CAPE. Compounds 4 and 5 were more active than CAPE and Zileuton in human polymorphonuclear leukocytes...
2015: International Journal of Medicinal Chemistry
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