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1.
Parameswarappa Deepika C. Arora Supriya Singh Sumit Randhir Sahoo Niroj Kumar Maltsev Dmitrii S. Kulikov Alexei N. Iovino Claudio Tatti Filippo Venkatesh Ramesh Zaheer Haniah Reddy Nikitha Gurram Pulipaka Ram Snehith Peiretti Enrico Chhablani Jay 《Albrecht von Graefes Archiv fur klinische und experimentelle Ophthalmologie》2022,260(4):1147-1152
Graefe's Archive for Clinical and Experimental Ophthalmology - To assess the influence of fellow eye information on diagnosis and classification of central serous chorioretinopathy (CSCR) using... 相似文献
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McKay DB Chang C González-Cestari TF McKay SB El-Hajj RA Bryant DL Zhu MX Swaan PW Arason KM Pulipaka AB Orac CM Bergmeier SC 《Molecular pharmacology》2007,71(5):1288-1297
As a novel approach to drug discovery involving neuronal nicotinic acetylcholine receptors (nAChRs), our laboratory targeted nonagonist binding sites (i.e., noncompetitive binding sites, negative allosteric binding sites) located on nAChRs. Cultured bovine adrenal cells were used as neuronal models to investigate interactions of 67 analogs of methyllycaconitine (MLA) on native alpha3beta4* nAChRs. The availability of large numbers of structurally related molecules presents a unique opportunity for the development of pharmacophore models for noncompetitive binding sites. Our MLA analogs inhibited nicotine-mediated functional activation of both native and recombinant alpha3beta4* nAChRs with a wide range of IC(50) values (0.9-115 microM). These analogs had little or no inhibitory effects on agonist binding to native or recombinant nAChRs, supporting noncompetitive inhibitory activity. Based on these data, two highly predictive 3D quantitative structure-activity relationship (comparative molecular field analysis and comparative molecular similarity index analysis) models were generated. These computational models were successfully validated and provided insights into the molecular interactions of MLA analogs with nAChRs. In addition, a pharmacophore model was constructed to analyze and visualize the binding requirements to the analog binding site. The pharmacophore model was subsequently applied to search structurally diverse molecular databases to prospectively identify novel inhibitors. The rapid identification of eight molecules from database mining and our successful demonstration of in vitro inhibitory activity support the utility of these computational models as novel tools for the efficient retrieval of inhibitors. These results demonstrate the effectiveness of computational modeling and pharmacophore development, which may lead to the identification of new therapeutic drugs that target novel sites on nAChRs. 相似文献
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González-Cestari TF Henderson BJ Pavlovicz RE McKay SB El-Hajj RA Pulipaka AB Orac CM Reed DD Boyd RT Zhu MX Li C Bergmeier SC McKay DB 《The Journal of pharmacology and experimental therapeutics》2009,328(2):504-515
Allosteric modulation of nAChRs is considered to be one of the most promising approaches for drug design targeting nicotinic acetylcholine receptors (nAChRs). We have reported previously on the pharmacological activity of several compounds that seem to act noncompetitively to inhibit the activation of alpha3beta4(*) nAChRs. In this study, the effects of 51 structurally similar molecules on native and recombinant alpha3beta4 nAChRs are characterized. These 51 molecules inhibited adrenal neurosecretion activated via stimulation of native alpha3beta4(*) nAChR, with IC(50) values ranging from 0.4 to 13.0 microM. Using cells expressing recombinant alpha3beta4 nAChRs, these molecules inhibited calcium accumulation (a more direct assay to establish nAChR activity), with IC(50) values ranging from 0.7 to 38.2 microM. Radiolabeled nAChR binding studies to orthosteric sites showed no inhibitory activity on either native or recombinant nAChRs. Correlation analyses of the data from both functional assays suggested additional, non-nAChR activity of the molecules. To test this hypothesis, the effects of the drugs on neurosecretion stimulated through non-nAChR mechanisms were investigated; inhibitory effects ranged from no inhibition to 95% inhibition at concentrations of 10 microM. Correlation analyses of the functional data confirmed this hypothesis. Several of the molecules (24/51) increased agonist binding to native nAChRs, supporting allosteric interactions with nAChRs. Computational modeling and blind docking identified a binding site for our negative allosteric modulators near the orthosteric binding site of the receptor. In summary, this study identified several molecules for potential development as negative allosteric modulators and documented the importance of multiple screening assays for nAChR drug discovery. 相似文献
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Vedula MS Pulipaka AB Venna C Chintakunta VK Jinnapally S Kattuboina VA Vallakati RK Basetti V Akella V Rajgopal S Reka AK Teepireddy SK Mamnoor PK Rajagopalan R Bulusu G Khandelwal A Upreti VV Mamidi SR 《European journal of medicinal chemistry》2003,38(9):811-824
New styryl sulfone compounds have been synthesized and evaluated for their anti-proliferative activity. Among the compounds synthesized, one compound (7k) has shown 51% tumor growth inhibition in mice implanted with HT-29 human carcinoma at 400 mg kg(-1) orally. 相似文献
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This work is primarily focused on indium sulfide (β-In2S3) and cobalt (Co)-doped β-In2S3 nanoflakes as photoanodes for water oxidation. The incorporation of cobalt introduces new dopant energy levels increasing visible light absorption and leading to improved photo-activity. In addition, cobalt ion centers in β-In2S3 act as potential catalytic sites to promote electro-activity. 5 mol% Co-doped β-In2S3 nanoflakes when tested for photoelectrochemical water splitting exhibited a photocurrent density of 0.69 mA cm−2 at 1.23 V, much higher than that of pure β-In2S3.Doped indium sulfide as an efficient photocatalyst for water oxidation. 相似文献
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Abhijit S.Nair Sai Kaushik Pulipaka Praveen Kumar Kodisharapu Asiel Christopher 《急性病杂志》2021,10(4):177-178
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the virus which is responsible for coronavirus disease (COVID-19), uses an angiotensin-2-converting enzyme (ACE2) as a cell receptor in humans. Initially, there is interstitial lung damage after infection, and then parenchymal lesions appear, which if not managed appropriately could worsen. 相似文献
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Comparison of PCR, culture, and histopathology for diagnosis of tuberculous pericarditis. 总被引:6,自引:0,他引:6 下载免费PDF全文
J P Cegielski B H Devlin A J Morris J N Kitinya U P Pulipaka L E Lema J Lwakatare L B Reller 《Journal of clinical microbiology》1997,35(12):3254-3257
Nucleic acid amplification techniques for the diagnosis of tuberculosis (TB) are rapidly being developed. Scant work, however, has focused on pericardial TB. Using cryopreserved specimens from a prior study of pericarditis, we compared PCR to culture and histopathology for the diagnosis of tuberculous pericarditis in 36 specimens of pericardial fluid and 19 specimens of pericardial tissue from 20 patients. Fluid and tissue were cultured on Lowenstein-Jensen and Middlebrook solid media and in BACTEC radiometric broth. Tissue specimens were stained with hematoxylin-eosin, Ziehl-Neelsen, auramine O, and Kinyoun stains and were examined for granuloma formation and acid-fast bacilli. PCR was performed with both fluid and tissue with IS6110-based primers specific for the Mycobacterium tuberculosis complex by published methods. Sixteen of the 20 patients had tuberculous pericarditis and 4 patients had other diagnoses. TB was correctly diagnosed by culture in 15 (93%) patients, by PCR in 13 (81%) patients, and by histology in 13 of 15 (87%) patients. PCR gave one false-positive result for a patient with Staphylococcus aureus pericarditis. Considering the individual specimens as the unit of analysis, M. tuberculosis was identified by culture in 30 of 43 specimens (70%) from patients with tuberculous pericarditis and by PCR in 14 of 28 specimens (50%) from patients with tuberculous pericarditis (P > 0.15). The sensitivity of PCR was higher with tissue specimens (12 of 15; 80%) than with fluid specimens (2 of 13; 15%; P = 0.002). In conclusion, the overall accuracy of PCR approached the results of conventional methods, although PCR was much faster. Therefore, PCR merits further development in this regard. The sensitivity of PCR with pericardial fluid was poor, and false-positive results with PCR remain a concern. 相似文献
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Parameswarappa Deepika C. Arora Supriya Singh Sumit Randhir Sahoo Niroj Kumar Maltsev Dmitrii S. Kulikov Alexei N. Iovino Claudio Tatti Filippo Venkatesh Ramesh Zaheer Haniah Reddy Nikitha Gurram Pulipaka Ram Snehith Peiretti Enrico Chhablani Jay 《Albrecht von Graefes Archiv fur klinische und experimentelle Ophthalmologie》2022,260(4):1427-1427
Graefe's Archive for Clinical and Experimental Ophthalmology - 相似文献
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