14 results on '"Srivastava, Pavan"'
Search Results
2. Quantitative Structure-activity Relationship based Design, Synthesis, and Evaluation of Novel Diarylether Derivatives as a potent Acetylcholinesterase inhibitor and Antioxidant to treat Cognitive dysfunctions.
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Srivastava, Pavan, Tripathi, Prabhash Nath, Sharma, Piyoosh, and Shrivastava, Sushant K.
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ACETYLCHOLINESTERASE inhibitors , *STRUCTURE-activity relationships , *ANTIOXIDANTS , *VITAMIN C , *ETHER derivatives , *MOLECULAR dynamics - Abstract
Some promising acetylcholinesterase (AChE) inhibitors with an antioxidant potential were designed, synthesised, and evaluated for their role in treating cognitive dysfunctions. The in silico Gaussian-based quantitative structureactivity relationship (QSAR), virtual screening (VS), QikProp drug-likeliness prediction and docking pose filtration protocols were adapted to design and screen the novel series of diaryl ether derivatives. Further, the selected compounds were investigated for their molecular binding stability using molecular dynamics (MD) simulation analysis and molecular mechanics generalised born surface area (MM-GBSA). The identified hits were synthesised and evaluated for their in vitro AChE inhibition and antioxidant potential. Among all the synthesized compounds, the compound 39 was observed as potent AChE inhibitor (AChE IC50 = 1.30 ± 0.09 μm; Ki = 0.054 ± 0.009 μM), and also the antioxidant potential of compound 39 (52.9%) was observed significantly better than standard donepezil (<10%) and parallel to ascorbic acid (56.6%). Further, compound 39 ameliorated the scopolamine-induced cognitive impairment in the Y-maze and passive avoidance testsin mice models. Ex vivo and biochemical analysis established the brain AChE inhibitory potential and antioxidant properties of compound 39. The results signified compound 39 to be a promising lead for the treatment of cognitive dysfunctions. [ABSTRACT FROM AUTHOR]
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- 2019
3. Biphenyl-3-oxo-1,2,4-triazine linked piperazine derivatives as potential cholinesterase inhibitors with anti-oxidant property to improve the learning and memory.
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Tripathi, Prabhash Nath, Srivastava, Pavan, Sharma, Piyoosh, Tripathi, Manish Kumar, Seth, Ankit, Tripathi, Avanish, Rai, Sachchida Nand, Singh, Surya Pratap, and Shrivastava, Sushant K.
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ACETYLCHOLINESTERASE , *TRIAZINE derivatives , *CHOLINESTERASE inhibitors , *PROPIDIUM iodide , *MOLECULAR docking , *MOLECULAR dynamics - Abstract
Graphical abstract Highlights • Biphenyl-3-oxo-1,2,4-triazine linked piperazines were designed and synthesized. • Compound 6g significantly inhibited the AChE and showed good CNS permeability. • In vivo studies showed significant improvement in learning and memory. • Biochemical analysis showed potential antioxidant property by compound 6g. Abstract A series of novel piperazine tethered biphenyl-3-oxo-1,2,4-triazine derivatives were designed, and synthesized. Amongst the synthesized analogs, compound 6g showed significant non-competitive inhibitory potential against acetylcholinesterase (AChE, IC 50 ; 0.2 ± 0.01 μM) compared to standard donepezil (AChE, IC 50 : 0.1 ± 0.002 μM). Compound 6g also exhibited significant displacement of propidium iodide from the peripheral anionic site (PAS) of AChE (22.22 ± 1.11%) and showed good CNS permeability in PAMPA-BBB assay (P e (exp) , 6.93 ± 0.46). The in vivo behavioral studies of compound 6g indicated significant improvement in cognitive dysfunctions against scopolamine-induced amnesia mouse models. Further, ex vivo studies showed a significant AChE inhibition and reversal of the scopolamine-induced oxidative stress by compound 6g. Moreover, molecular docking and dynamics simulations of compound 6g showed a consensual binding affinity and active site interactions with the PAS and active catalytic site (CAS) residues of AChE. [ABSTRACT FROM AUTHOR]
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- 2019
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4. Design and development of novel N-(pyrimidin-2-yl)-1,3,4-oxadiazole hybrids to treat cognitive dysfunctions.
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Tripathi, Prabhash Nath, Srivastava, Pavan, Sharma, Piyoosh, Seth, Ankit, and Shrivastava, Sushant K.
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BLOOD-brain barrier , *DESIGN , *OXIDATIVE stress , *CELL lines , *MOLECULAR dynamics - Abstract
Graphical abstract Abstract Novel hybrids bearing a 2-aminopyrimidine (2-AP) moiety linked to substituted 1,3,4-oxadiazoles were designed, synthesized and biologically evaluated. Among the developed compounds, 28 noncompetitively inhibited human acetylcholinesterase (hAChE; pIC 50 = 6.52; Ki = 0.17 µM) and showed potential in vitro antioxidant activity (60.0%) when evaluated using the Ellman's and DPPH assays, respectively. Compound 28 competitively displaced propidium iodide (PI) from the peripheral anionic site (PAS) of hAChE (17.6%) and showed high blood-brain barrier (BBB) permeability, as observed in the PAMPA-BBB assay. Additionally, compound 28 inhibited hAChE-induced Aβ aggregation in a concentration-dependent manner according to the thioflavin T assay and was devoid of neurotoxic liability towards SH-SY5Y cell lines, as demonstrated by the MTT assay. The behavioral studies of compound 28 in mice showed a significant reversal of scopolamine-induced amnesia, as observed in Y-maze and passive avoidance tests. Furthermore, compound 28 exhibited significant AChE inhibition in the brain in ex vivo studies. An evaluation of oxidative stress biomarkers revealed the antioxidant potential of 28. Moreover, in silico molecular docking and dynamics simulation studies were used as a computational tool to evaluate the interactions of compound 28 with the active site residues of hAChE. [ABSTRACT FROM AUTHOR]
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- 2019
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5. Comprehensive review of mechanisms of pathogenesis involved in Alzheimer's disease and potential therapeutic strategies.
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Sharma, Piyoosh, Srivastava, Pavan, Seth, Ankit, Tripathi, Prabhash Nath, Banerjee, Anupam G., and Shrivastava, Sushant K.
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REPORTING of diseases , *ALZHEIMER'S disease , *THERAPEUTICS - Abstract
Highlights • The pathophysiological roles and underlying mechanisms of several hypotheses involved in AD are extensively reviewed. • A detailed investigation of all the conventional and novel therapeutic targets. • The identification of structural and functional motifs with a comprehensive framework of the active sites involved. • To elucidate and simplify the complexity and call for attention on the crucial areas to discover innovative therapeutics. Abstract AD is a progressive neurodegenerative disorder and a leading cause of dementia in an aging population worldwide. The enormous challenge which AD possesses to global healthcare makes it as urgent as ever for the researchers to develop innovative treatment strategies to fight this disease. An in-depth analysis of the extensive available data associated with the AD is needed for a more comprehensive understanding of underlying molecular mechanisms and pathophysiological pathways associated with the onset and progression of the AD. The currently understood pathological and biochemical manifestations include cholinergic, Aβ, tau, excitotoxicity, oxidative stress, ApoE, CREB signaling pathways, insulin resistance, etc. However, these hypotheses have been criticized with several conflicting reports for their involvement in the disease progression. Several issues need to be addressed such as benefits to cost ratio with cholinesterase therapy, the dilemma of AChE selectivity over BChE, BBB permeability of peptidic BACE-1 inhibitors, hurdles related to the implementation of vaccination and immunization therapy, and clinical failure of candidates related to newly available targets. The present review provides an insight to the different molecular mechanisms involved in the development and progression of the AD and potential therapeutic strategies, enlightening perceptions into structural information of conventional and novel targets along with the successful applications of computational approaches for the design of target-specific inhibitors. [ABSTRACT FROM AUTHOR]
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- 2019
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6. Design, synthesis, and biological evaluation of some novel indolizine derivatives as dual cyclooxygenase and lipoxygenase inhibitor for anti-inflammatory activity.
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Shrivastava, Sushant K., Srivastava, Pavan, Bandresh, Robin, Tripathi, Prabhash Nath, and Tripathi, Avanish
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IMIDAZOLES , *AZOLES , *PYRIDINE , *AMINO acids , *CYCLOOXYGENASE 2 - Abstract
Some novel indolizine derivatives were synthesized by bioisosteric modification of imidazo[1,2- a ]pyridine for anti-inflammatory activity. The physicochemical characterization and structure of compounds were elucidated by state of the art spectroscopic technique. Induced fit docking was performed for initial screening to elucidate the interactions with corresponding amino acids of cyclooxygenase (COX-1, COX-2) and lipoxygenase (LOX) enzymes. The target compounds 53 – 60 were then evaluated against in vivo carrageenan and arachidonic acid induced rat paw edema models for anti-inflammatory activity. Amongst all the synthesized derivatives, compound 56 showed the significant anti-inflammatory activity in both rat paw edema models with very less ulcerogenic liability in comparison to standard diclofenac, celecoxib, and zileuton. The compounds 56 was further assessed to observe in vitro enzyme inhibition assay on both cyclooxygenase and lipoxygenase enzyme where it showed a preferential and selective non-competitive enzyme inhibition towards the COX-2 (IC 50 = 14.91 μM, Ki = 0.72 µM) over COX-1 (IC 50 > 50 μM) and a significant non-competitive inhibition of soybean lipoxygenase enzyme (IC 50 = 13.09 μM, Ki = 0.92 µM). Thus, in silico, in vivo , and in vitro findings suggested that the synthesized indolizine compound 56 has a dual COX-2 and LOX inhibition characteristic and parallel in vivo anti-inflammatory activity in comparison to the standard drugs. [ABSTRACT FROM AUTHOR]
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- 2017
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7. Design, synthesis and evaluation of some N-methylenebenzenamine derivatives as selective acetylcholinesterase (AChE) inhibitor and antioxidant to enhance learning and memory.
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Shrivastava, Sushant K., Srivastava, Pavan, Upendra, T.V.R., Tripathi, Prabhash Nath, and Sinha, Saurabh K.
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AMINE derivatives , *ACETYLCHOLINESTERASE inhibitors , *ANTIOXIDANTS , *DRUG design , *DRUG synthesis , *EFFECT of drugs on learning - Abstract
Series of some 3,5-dimethoxy- N -methylenebenzenamine and 4-(methyleneamino)benzoic acid derivatives comprising of N -methylenebenzenamine nucleus were designed, synthesized, characterized, and assessed for their acetylcholinesterase (AChE), butyrylcholinesterase (BChE) inhibitory, and antioxidant activity thereby improving learning and memory in rats. The IC 50 values of all the compound along with standard were determined on AChE and BChE enzyme. The free radical scavenging activity was also assessed by in vitro DPPH (2,2-diphenyl-1-picryl-hydrazyl) and hydrogen peroxide radical scavenging assay. The selective inhibitions of all compounds were observed against AChE in comparison with standard donepezil. The enzyme kinetic study of the most active compound 4 indicated uncompetitive AChE inhibition. The docking studies of compound 4 exhibited the worthy interaction on active-site gorge residues Phe330 and Trp279 responsible for its high affinity towards AChE, whereas lacking of the BChE inhibition was observed due to a wider gorge binding site and absence of important aromatic amino acids interactions. The ex vivo study confirmed AChE inhibition abilities of compound 4 at brain site. Further, a considerable decrease in escape latency period of the compound was observed in comparison with standard donepezil through in vivo Spatial Reference Memory (SRM) and Spatial Working Memory (SWM) models which showed the cognition-enhancing potential of compound 4 . The in vivo reduced glutathione (GSH) estimation on rat brain tissue homogenate was also performed to evaluate free radical scavenging activity substantiated the antioxidant activity in learning and memory. [ABSTRACT FROM AUTHOR]
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- 2017
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8. Synthesis, anti-inflammatory, analgesic, 5-lipoxygenase (5-LOX) inhibition activities, and molecular docking study of 7-substituted coumarin derivatives.
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Srivastava, Pavan, Vyas, Vivek K., Variya, Bhavesh, Patel, Palak, Qureshi, Gulamnizami, and Ghate, Manjunath
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ANTI-inflammatory agents , *LIPOXYGENASES , *ENZYME inhibitors , *COUMARIN derivatives , *MOLECULAR docking , *DRUG synthesis - Abstract
In the present study, 7-subsituted coumarin derivatives were synthesized using various aromatic and heterocyclic amines, and evaluated in vivo for anti-inflammatory and analgesic activity, and for ulcerogenic risk. The most active compounds were evaluated in vitro for 5-lipoxygenase (5-LOX) inhibition. Docking study was performed to predict the binding affinity, and orientation at the active site of the enzyme. In vivo anti-inflammatory and analgesic activity, and in vitro 5-LOX enzyme inhibition study revealed that compound 33 and 35 are the most potent compounds in all the screening methods. In vitro kinetic study of 35 showed mixed or non-competitive type of inhibition with 5-LOX enzyme. Presence of OCH 3 group in 35 and Cl in 33 at C6-position of benzothiazole ring were found very important substitutions for potent activity. [ABSTRACT FROM AUTHOR]
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- 2016
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9. Design and development of novel p-aminobenzoic acid derivatives as potential cholinesterase inhibitors for the treatment of Alzheimer's disease.
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Shrivastava, Sushant K., Sinha, Saurabh K., Srivastava, Pavan, Tripathi, Prabhash N., Sharma, Piyoosh, Tripathi, Manish K., Tripathi, Avanish, Choubey, Priyanka K., Waiker, Digambar K., Aggarwal, Lalit M., Dixit, Manish, Kheruka, Subhash C., Gambhir, Sanjay, Shankar, Sharmila, and Srivastava, Rakesh K.
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AMINOBENZOIC acids , *ACETYLCHOLINESTERASE , *BUTYRYLCHOLINESTERASE , *CHOLINESTERASE inhibitors , *ALZHEIMER'S disease treatment - Abstract
Graphical abstract Highlights • Novel p-aminobenzoic acid derivatives were designed, synthesized and characterized. • The compounds exhibited significant inhibitory potential against AChE and BChE. • Compound 22 exhibited significant improvements in working and reference memory. • The ex vivo study confirmed the ability of compound 22 to cross the BBB. • The in silico studies demonstrated the binding to active pocket in a stable manner. Abstract Based on the quantitative structure-activity relationship (QSAR), some novel p-aminobenzoic acid derivatives as promising cholinesterase enzyme inhibitors were designed, synthesized, characterized and evaluated to enhance learning and memory. The in vitro enzyme kinetic study of the synthesized compounds revealed the type of inhibition on the respective acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes. The in vivo studies of the synthesized compounds exhibited significant reversal of cognitive deficits in the animal models of amnesia as compared to standard drug donepezil. Further, the ex vivo studies in the specific brain regions like the hippocampus, hypothalamus, and prefrontal cortex regions also exhibited AChE inhibition comparable to standard donepezil. The in silico molecular docking and dynamics simulations studies of the most potent compound 22 revealed the consensual interactions at the active site pocket of the AChE. [ABSTRACT FROM AUTHOR]
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- 2019
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10. Computational exploration and experimental validation to identify a dual inhibitor of cholinesterase and amyloid-beta for the treatment of Alzheimer's disease.
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Tripathi, Manish Kumar, Sharma, Piyoosh, Tripathi, Avanish, Tripathi, Prabhash Nath, Srivastava, Pavan, Seth, Ankit, and Shrivastava, Sushant Kumar
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SECRETASE inhibitors , *ALZHEIMER'S disease , *CHOLINESTERASE inhibitors , *MOLECULAR dynamics , *ENZYME kinetics , *MOLECULAR docking , *ACETYLCHOLINESTERASE - Abstract
The cholinesterases are essential targets implicated in the pathogenesis of Alzheimer's disease (AD). In the present study, virtual screening and molecular docking are performed to identify the potential hits. Docking-post processing (DPP) and pose filtration protocols against AChE and BChE resulted in three hits (AW00308, HTS04089, and JFD03947). Molecular Mechanics-Generalized Born Surface Area (MM-GBSA) and molecular dynamics simulation analysis affirmed the stability and binding pattern of the docked complex JFD03947, which was further synthesized and evaluated for in vitro cholinesterase inhibition (AChE, IC50 = 0.062 µM; BChE, IC50 = 1.482 µM) activity. The enzyme kinetics study of the JFD03947 against hAChE and hBChE suggested a mixed type of inhibition. The results of thioflavin T-assay also elicited anti-Aβ aggregation activity by JFD03947. Further, biological evaluation of identified compound JFD03947 also showed neuroprotective ability against the SH-SY5Y neuroblastoma cell lines. [ABSTRACT FROM AUTHOR]
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- 2020
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11. Design and development of multitarget-directed N-Benzylpiperidine analogs as potential candidates for the treatment of Alzheimer's disease.
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Sharma, Piyoosh, Tripathi, Avanish, Tripathi, Prabhash Nath, Prajapati, Santosh Kumar, Seth, Ankit, Tripathi, Manish Kumar, Srivastava, Pavan, Tiwari, Vinod, Krishnamurthy, Sairam, and Shrivastava, Sushant Kumar
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BENZYL compounds , *ALZHEIMER'S disease treatment , *ASYMMETRIC synthesis , *ACETYLCHOLINESTERASE , *ENZYME inhibitors - Abstract
Abstract The multitarget-directed strategy offers an effective and promising paradigm to treat the complex neurodegenerative disorder, such as Alzheimer's disease (AD). Herein, a series of N -benzylpiperidine analogs (17 – 31 and 32 – 46) were designed and synthesized as multi-functional inhibitors of acetylcholinesterase (AChE) and β-secretase-1 (BACE-1) with moderate to excellent inhibitory activities. Among the tested inhibitors, 25, 26, 40, and 41 presented the most significant and balanced inhibition against both the targets. Compounds 40 and 41 exhibited high brain permeability in the PAMPA-BBB assay, significant displacement of propidium iodide from the peripheral anionic site (PAS) of AChE, and were devoid of neurotoxicity towards SH-SY5Y neuroblastoma cell lines up to the maximum tested concentration of 80 μM. Meanwhile, both these compounds inhibited self- and AChE-induced Aβ aggregation in thioflavin T assay, which was also re-affirmed by morphological characterization of Aβ aggregates using atomic force microscopy (AFM). Moreover, 40 and 41 ameliorated the scopolamine-induced cognitive impairment in elevated plus and Y-maze experiments. Ex vivo and biochemical analysis established the brain AChE inhibitory potential and antioxidant properties of these compounds. Further, improvement in Aβ 1-42 -induced cognitive impairment was also observed by compound 41 in the Morris water maze experiment with significant oral absorption characteristics ascertained by the pharmacokinetic studies. Graphical abstract Image 1 Highlights • Design and synthesis of a series of N -benzylpiperidine analogs (17 – 46). • Compounds 25, 26, 40, and 41 exhibited balanced inhibition of AChE and BACE-1. • Propidium iodide displacement and inhibition of Aβ aggregation by 40 and 41. • Biochemical analysis of rat brain homogenates suggested antioxidant potential. • Amelioration of scopolamine- and Aβ-induced cognitive impairment in AD rat models. [ABSTRACT FROM AUTHOR]
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- 2019
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12. Feasibility of Inpatient Continuous Glucose Monitoring During the COVID-19 Pandemic: Early Experience.
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Reutrakul, Sirimon, Genco, Matthew, Salinas, Harley, Sargis, Robert M., Paul, Carlie, Eisenberg, Yuval, Fang, Jiali, Caskey, Rachel N., Henkle, Sarah, Fatoorehchi, Sam, Osta, Amanda, Srivastava, Pavan, Johnson, Alexia, Messmer, Sarah E., Barnes, Michelle, Pratuangtham, Sarida, and Layden, Brian T.
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COVID-19 pandemic , *GLUCOSE , *BLOOD sugar monitoring , *PERSONAL protective equipment - Abstract
The article focuses on continuous glucose monitoring (CGM) systems have been explored in a few studies for non–intensive care unit (ICU) patients. Topics include the COVID-19 pandemic has shortage of personal protective equipment (PPE) became a concern, and the U.S. Food and Drug Administration has announced it would not object to the use of CGM systems to assist with COVID-19 patient monitoring.
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- 2020
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13. Design and development of 1,3,4-oxadiazole derivatives as potential inhibitors of acetylcholinesterase to ameliorate scopolamine-induced cognitive dysfunctions.
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Mishra, Puja, Sharma, Piyoosh, Tripathi, Prabhash Nath, Gupta, Sukesh Kumar, Srivastava, Pavan, Seth, Ankit, Tripathi, Avanish, Krishnamurthy, Sairam, and Shrivastava, Sushant Kumar
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ACETYLCHOLINESTERASE inhibitors , *ACETYLCHOLINESTERASE , *CHOLINESTERASES , *ARTIFICIAL membranes , *MOLECULAR hybridization , *PERMEABILITY - Abstract
• 4-AP tethered 1,3,4-oxadiazole derivatives were designed and synthesized. • Compound 9 elicited significant non-competitive type of hAChE inhibition. • Compound 9 showed significant brain permeability in PAMPA-BBB assay. • Compound 9 ameliorated scopolamine- induced cognitive impairment in mice models. • Biochemical analysis using brain homogenates suggested antioxidant activity by 9. The novel hybrids bearing 4-aminopyridine (4-AP) tethered with substituted 1,3,4-oxadiazole nucleus were designed, synthesized, and evaluated for their potential AChE inhibitory property along with significant antioxidant potential. The inhibitory potential (IC 50) of synthesized analogs was evaluated against human cholinesterases (hAChE and hBChE) using Ellman's method. Among all the compounds, 9 with 4-hydroxyl substituent showed maximum hAChE inhibition with the non-competitive type of enzyme inhibition (IC 50 = 1.098 µM; Ki = 0.960 µM). Further, parallel artificial membrane permeation assay (PAMPA-BBB) showed significant BBB permeability in most of the synthesized compounds. Meanwhile, compound 9 also inhibited AChE-induced Aβ aggregation (38.2–65.9%) by thioflavin T assay. The in vivo behavioral studies showed dose-dependent improvement in learning and memory by compound 9. The ex vivo studies also affirmed the significant AChE inhibition and antioxidant potential of compound 9 in brain homogenates. [ABSTRACT FROM AUTHOR]
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- 2019
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14. Transition to international classification of disease version 10, clinical modification: the impact on internal medicine and internal medicine subspecialties.
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Caskey, Rachel N., Abutahoun, Angelos, Polick, Anne, Barnes, Michelle, Srivastava, Pavan, and Boyd, Andrew D.
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MEDICAL care , *INTERNAL medicine , *MEDICAID , *RHEUMATOLOGY , *ENDOCRINOLOGY - Abstract
Background: The US health care system uses diagnostic codes for billing and reimbursement as well as quality assessment and measuring clinical outcomes. The US transitioned to the International Classification of Diseases, 10th Revision, Clinical Modification (ICD-10-CM) on October, 2015. Little is known about the impact of ICD-10-CM on internal medicine and medicine subspecialists.Methods: We used a state-wide data set from Illinois Medicaid specified for Internal Medicine providers and subspecialists. A total of 3191 ICD-9-CM codes were used for 51,078 patient encounters, for a total cost of US $26,022,022 for all internal medicine. We categorized all of the ICD-9-CM codes based on the complexity of mapping to ICD-10-CM as codes with complex mapping could result in billing or administrative errors during the transition. Codes found to have complex mapping and frequently used codes (n = 295) were analyzed for clinical accuracy of mapping to ICD-10-CM. Each subspecialty was analyzed for complexity of codes used and proportion of reimbursement associated with complex codes.Results: Twenty-five percent of internal medicine codes have convoluted mapping to ICD-10-CM, which represent 22% of Illinois Medicaid patients, and 30% of reimbursements. Rheumatology and Endocrinology had the greatest proportion of visits and reimbursement associated with complex codes. We found 14.5% of ICD-9-CM codes used by internists, when mapped to ICD-10-CM, resulted in potential clinical inaccuracies.Conclusions: We identified that 43% of diagnostic codes evaluated and used by internists and that account for 14% of internal medicine reimbursements are associated with codes which could result in administrative errors. [ABSTRACT FROM AUTHOR]- Published
- 2018
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