Displaying publications 1 - 20 of 66 in total

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  1. Fulltext Primary stability recognition of the newly designed cementless femoral stem using digital signal processing
    Baharuddin MY, Salleh ShH, Hamedi M, Zulkifly AH, Lee MH, Mohd Noor A, et al.
    Biomed Res Int, 2014;2014:478248.
    PMID: 24800230 DOI: 10.1155/2014/478248
    Stress shielding and micromotion are two major issues which determine the success of newly designed cementless femoral stems. The correlation of experimental validation with finite element analysis (FEA) is commonly used to evaluate the stress distribution and fixation stability of the stem within the femoral canal. This paper focused on the applications of feature extraction and pattern recognition using support vector machine (SVM) to determine the primary stability of the implant. We measured strain with triaxial rosette at the metaphyseal region and micromotion with linear variable direct transducer proximally and distally using composite femora. The root mean squares technique is used to feed the classifier which provides maximum likelihood estimation of amplitude, and radial basis function is used as the kernel parameter which mapped the datasets into separable hyperplanes. The results showed 100% pattern recognition accuracy using SVM for both strain and micromotion. This indicates that DSP could be applied in determining the femoral stem primary stability with high pattern recognition accuracy in biomechanical testing.
    Matched MeSH terms: Computer-Aided Design
  2. Fulltext Model-based PEEP titration versus standard practice in mechanical ventilation: a randomised controlled trial
    Kim KT, Morton S, Howe S, Chiew YS, Knopp JL, Docherty P, et al.
    Trials, 2020 Feb 01;21(1):130.
    PMID: 32007099 DOI: 10.1186/s13063-019-4035-7
    BACKGROUND: Positive end-expiratory pressure (PEEP) at minimum respiratory elastance during mechanical ventilation (MV) in patients with acute respiratory distress syndrome (ARDS) may improve patient care and outcome. The Clinical utilisation of respiratory elastance (CURE) trial is a two-arm, randomised controlled trial (RCT) investigating the performance of PEEP selected at an objective, model-based minimal respiratory system elastance in patients with ARDS.

    METHODS AND DESIGN: The CURE RCT compares two groups of patients requiring invasive MV with a partial pressure of arterial oxygen/fraction of inspired oxygen (PaO2/FiO2) ratio ≤ 200; one criterion of the Berlin consensus definition of moderate (≤ 200) or severe (≤ 100) ARDS. All patients are ventilated using pressure controlled (bi-level) ventilation with tidal volume = 6-8 ml/kg. Patients randomised to the control group will have PEEP selected per standard practice (SPV). Patients randomised to the intervention will have PEEP selected based on a minimal elastance using a model-based computerised method. The CURE RCT is a single-centre trial in the intensive care unit (ICU) of Christchurch hospital, New Zealand, with a target sample size of 320 patients over a maximum of 3 years. The primary outcome is the area under the curve (AUC) ratio of arterial blood oxygenation to the fraction of inspired oxygen over time. Secondary outcomes include length of time of MV, ventilator-free days (VFD) up to 28 days, ICU and hospital length of stay, AUC of oxygen saturation (SpO2)/FiO2 during MV, number of desaturation events (SpO2 

    Matched MeSH terms: Computer-Aided Design
  3. Finite element analysis of zygomatic implants in intrasinus and extramaxillary approaches for prosthetic rehabilitation in severely atrophic maxillae
    Ishak MI, Kadir MR, Sulaiman E, Kasim NH
    Int J Oral Maxillofac Implants, 2013 May-Jun;28(3):e151-60.
    PMID: 23748334 DOI: 10.11607/jomi.2304
    To compare the extramaxillary approach with the widely used intrasinus approach via finite element method.
    Matched MeSH terms: Computer-Aided Design
  4. Effects of different implant-abutment connections on micromotion and stress distribution: prediction of microgap formation
    Saidin S, Abdul Kadir MR, Sulaiman E, Abu Kasim NH
    J Dent, 2012 Jun;40(6):467-74.
    PMID: 22366313 DOI: 10.1016/j.jdent.2012.02.009
    The aim of this study was to analyse micromotion and stress distribution at the connections of implants and four types of abutments: internal hexagonal, internal octagonal, internal conical and trilobe.
    Matched MeSH terms: Computer-Aided Design
  5. Start-up, steady state performance and kinetic evaluation of a thermophilic integrated anaerobic-aerobic bioreactor (IAAB)
    Chan YJ, Chong MF, Law CL
    Bioresour Technol, 2012 Dec;125:145-57.
    PMID: 23026327 DOI: 10.1016/j.biortech.2012.08.118
    Thermophilic treatment of palm oil mill effluent (POME) was studied in a novel integrated anaerobic-aerobic bioreactor (IAAB). The IAAB was subjected to a program of steady-state operation over a range of organic loading rate (OLR)s, up to 30 g COD/L day in order to evaluate its treatment capacity. The thermophilic IAAB achieved high chemical oxygen demand (COD), biochemical oxygen demand (BOD) and total suspended solids (TSS) removal efficiencies of more than 99% for OLR up to 18.5 g COD/L day. High methane yield of 0.32 LCH(4) (STP)/g COD(removed) with compliance of the final treated effluent to the discharge limit were achieved. This is higher than that of the mesophilic system due to the higher maximum specific growth rate (μ(max)) of the thermophilic microorganisms. Besides, coupling the model of Grau second order model (anaerobic system) with the model of Monod (aerobic system) will completely define the IAAB system.
    Matched MeSH terms: Computer-Aided Design
  6. Fulltext Structure, Properties, and In Vitro Behavior of Heat-Treated Calcium Sulfate Scaffolds Fabricated by 3D Printing
    Asadi-Eydivand M, Solati-Hashjin M, Shafiei SS, Mohammadi S, Hafezi M, Abu Osman NA
    PLoS One, 2016;11(3):e0151216.
    PMID: 26999789 DOI: 10.1371/journal.pone.0151216
    The ability of inkjet-based 3D printing (3DP) to fabricate biocompatible ceramics has made it one of the most favorable techniques to generate bone tissue engineering (BTE) scaffolds. Calcium sulfates exhibit various beneficial characteristics, and they can be used as a promising biomaterial in BTE. However, low mechanical performance caused by the brittle character of ceramic materials is the main weakness of 3DP calcium sulfate scaffolds. Moreover, the presence of certain organic matters in the starting powder and binder solution causes products to have high toxicity levels. A post-processing treatment is usually employed to improve the physical, chemical, and biological behaviors of the printed scaffolds. In this study, the effects of heat treatment on the structural, mechanical, and physical characteristics of 3DP calcium sulfate prototypes were investigated. Different microscopy and spectroscopy methods were employed to characterize the printed prototypes. The in vitro cytotoxicity of the specimens was also evaluated before and after heat treatment. Results showed that the as-printed scaffolds and specimens heat treated at 300°C exhibited severe toxicity in vitro but had almost adequate strength. By contrast, the specimens heat treated in the 500°C-1000°C temperature range, although non-toxic, had insufficient mechanical strength, which was mainly attributed to the exit of the organic binder before 500°C and the absence of sufficient densification below 1000°C. The sintering process was accelerated at temperatures higher than 1000°C, resulting in higher compressive strength and less cytotoxicity. An anhydrous form of calcium sulfate was the only crystalline phase existing in the samples heated at 500°C-1150°C. The formation of calcium oxide caused by partial decomposition of calcium sulfate was observed in the specimens heat treated at temperatures higher than 1200°C. Although considerable improvements in cell viability of heat-treated scaffolds were observed in this study, the mechanical properties were not significantly improved, requiring further investigations. However, the findings of this study give a better insight into the complex nature of the problem in the fabrication of synthetic bone grafts and scaffolds via post-fabrication treatment of 3DP calcium sulfate prototypes.
    Matched MeSH terms: Computer-Aided Design
  7. Start-up, performance and optimization of a compost biofilter treating gas-phase mixture of benzene and toluene
    Rene ER, Kar S, Krishnan J, Pakshirajan K, López ME, Murthy DV, et al.
    Bioresour Technol, 2015 Aug;190:529-35.
    PMID: 25827361 DOI: 10.1016/j.biortech.2015.03.049
    The performance of a compost biofilter inoculated with mixed microbial consortium was optimized for treating a gas-phase mixture of benzene and toluene. The biofilter was acclimated to these VOCs for a period of ∼18d. The effects of concentration and flow rate on the removal efficiency (RE) and elimination capacity (EC) were investigated by varying the inlet concentration of benzene (0.12-0.95g/m(3)), toluene (0.14-1.48g/m(3)) and gas-flow rate (0.024-0.072m(3)/h). At comparable loading rates, benzene removal in the mixture was reduced in the range of 6.6-41% in comparison with the individual benzene degradation. Toluene removal in mixture was even more affected as observed from the reductions in REs, ranging from 18.4% to 76%. The results were statistically interpreted by performing an analysis of variance (ANOVA) to elucidate the main and interaction effects.
    Matched MeSH terms: Computer-Aided Design
  8. Stress distributions in maxillary central incisors restored with various types of post materials and designs
    Madfa AA, Kadir MR, Kashani J, Saidin S, Sulaiman E, Marhazlinda J, et al.
    Med Eng Phys, 2014 Jul;36(7):962-7.
    PMID: 24834856 DOI: 10.1016/j.medengphy.2014.03.018
    Different dental post designs and materials affect the stability of restoration of a tooth. This study aimed to analyse and compare the stability of two shapes of dental posts (parallel-sided and tapered) made of five different materials (titanium, zirconia, carbon fibre and glass fibre) by investigating their stress transfer through the finite element (FE) method. Ten three-dimensional (3D) FE models of a maxillary central incisor restored with two different designs and five different materials were constructed. An oblique loading of 100 N was applied to each 3D model. Analyses along the centre of the post, the crown-cement/core and the post-cement/dentine interfaces were computed, and the means were calculated. One-way ANOVAs followed by post hoc tests were used to evaluate the effectiveness of the post materials and designs (p=0.05). For post designs, the tapered posts introduced significantly higher stress compared with the parallel-sided post (p<0.05), especially along the centre of the post. Of the materials, the highest level of stress was found for stainless steel, followed by zirconia, titanium, glass fibre and carbon fibre posts (p<0.05). The carbon and glass fibre posts reduced the stress distribution at the middle and apical part of the posts compared with the stainless steel, zirconia and titanium posts. The opposite results were observed at the crown-cement/core interface.
    Matched MeSH terms: Computer-Aided Design
  9. Computational evaluation of unsaturated carbonitriles as neutral receptor model for beryllium(II) recognition
    Rosli AN, Ahmad MR, Alias Y, Zain SM, Lee VS, Woi PM
    J Mol Model, 2014 Dec;20(12):2533.
    PMID: 25433601 DOI: 10.1007/s00894-014-2533-9
    Design of neutral receptor molecules (ionophores) for beryllium(II) using unsaturated carbonitrile models has been carried out via density functional theory, G3, and G4 calculations. The first part of this work focuses on gas phase binding energies between beryllium(II) and 2-cyano butadiene (2-CN BD), 3-cyano propene (3-CN P), and simpler models with two separate fragments; acrylonitrile and ethylene. Interactions between beryllium(II) and cyano nitrogen and terminal olefin in the models have been examined in terms of geometrical changes, distribution of charge over the entire π-system, and rehybridization of vinyl carbon orbitals. NMR shieldings and vibrational frequencies probed charge centers and strength of interactions. The six-membered cyclic complexes have planar structures with the rehybridized carbon slightly out of plane (16° in 2-CN BD). G3 results show that in 2-CN BD complex participation of vinyl carbon further stabilizes the cyclic adduct by 16.3 kcal mol(-1), whereas, in simpler models, interaction between beryllium(II) and acetonitrile is favorable by 46.4 kcal mol(-1) compared with that of ethylene. The terminal vinyl carbon in 2-CN BD rehybridizes to sp (3) with an increase of 7 % of s character to allow interaction with beryllium(II). G4 calculations show that the Be(II) and 2-CN BD complex is more strongly bound than those with Mg(II) and Ca(II) by 98.5 and 139.2 kcal mol(-1) (-1), respectively. QST2 method shows that the cyclic and acyclic forms of Be(II)-2-CN BD complexes are separated by 12.3 kcal mol(-1) barrier height. Overlap population analysis reveals that Ca(II) can be discriminated based on its tendency to form ionic interaction with the receptor models.
    Matched MeSH terms: Computer-Aided Design
  10. Fulltext Analysis of glass-reinforced epoxy material for radio frequency resonator
    Zaman MR, Islam MT, Misran N, Yatim B
    ScientificWorldJournal, 2014;2014:831435.
    PMID: 24977230 DOI: 10.1155/2014/831435
    A radio frequency (RF) resonator using glass-reinforced epoxy material for C and X band is proposed in this paper. Microstrip line technology for RF over glass-reinforced epoxy material is analyzed. Coupling mechanism over RF material and parasitic coupling performance is explained utilizing even and odd mode impedance with relevant equivalent circuit. Babinet's principle is deployed to explicate the circular slot ground plane of the proposed resonator. The resonator is designed over four materials from different backgrounds which are glass-reinforced epoxy, polyester, gallium arsenide (GaAs), and rogers RO 4350B. Parametric studies and optimization algorithm are applied over the geometry of the microstrip resonator to achieve dual band response for C and X band. Resonator behaviors for different materials are concluded and compared for the same structure. The final design is fabricated over glass-reinforced epoxy material. The fabricated resonator shows a maximum directivity of 5.65 dBi and 6.62 dBi at 5.84 GHz and 8.16 GHz, respectively. The lowest resonance response is less than -20 dB for C band and -34 dB for X band. The resonator is prototyped using LPKF (S63) drilling machine to study the material behavior.
    Matched MeSH terms: Computer-Aided Design
  11. Fulltext Single-event-upset sensitivity analysis on low-swing drivers
    Mahyuddin NM, Russell G
    ScientificWorldJournal, 2014;2014:876435.
    PMID: 24782671 DOI: 10.1155/2014/876435
    Technology scaling relies on reduced nodal capacitances and lower voltages in order to improve performance and power consumption, resulting in significant increase in layout density, thus making these submicron technologies more susceptible to soft errors. Previous analysis indicates a significant improvement in SEU tolerance of the driver when the bias current is injected into the circuit but results in increase of power dissipation. Subsequently, other alternatives are considered. The impact of transistor sizes and temperature on SEU tolerance is tested. Results indicate no significant changes in Q(crit) when the effective transistor length is increased by 10%, but there is an improvement when high temperature and high bias currents are applied. However, this is due to other process parameters that are temperature dependent, which contribute to the sharp increase in Q(crit). It is found that, with temperature, there is no clear factor that can justify the direct impact of temperature on the SEU tolerance. Thus, in order to improve the SEU tolerance, high bias currents are still considered to be the most effective method in improving the SEU sensitivity. However, good trade-off is required for the low-swing driver in order to meet the reliability target with minimal power overhead.
    Matched MeSH terms: Computer-Aided Design
  12. Fulltext G3 assisted rational design of chemical sensor array using carbonitrile neutral receptors
    Rosli AN, Bakar MA, Manan NS, Woi PM, Lee VS, Zain SM, et al.
    Sensors (Basel), 2013;13(10):13835-60.
    PMID: 24129020 DOI: 10.3390/s131013835
    Combined computational and experimental strategies for the systematic design of chemical sensor arrays using carbonitrile neutral receptors are presented. Binding energies of acetonitrile, n-pentylcarbonitrile and malononitrile with Ca(II), Mg(II), Be(II) and H⁺ have been investigated with the B3LYP, G3, CBS-QB3, G4 and MQZVP methods, showing a general trend H⁺ > Be(II) > Mg(II) > Ca(II). Hydrogen bonding, donor-acceptor and cation-lone pair electron simple models were employed in evaluating the performance of computational methods. Mg(II) is bound to acetonitrile in water by 12.5 kcal/mol, and in the gas phase the receptor is more strongly bound by 33.3 kcal/mol to Mg(II) compared to Ca(II). Interaction of bound cations with carbonitrile reduces the energies of the MOs involved in the proposed σ-p conjugated network. The planar malononitrile-Be(II) complex possibly involves a π-network with a cationic methylene carbon. Fabricated potentiometric chemical sensors show distinct signal patterns that can be exploited in sensor array applications.
    Matched MeSH terms: Computer-Aided Design
  13. Design of new generation femoral prostheses using functionally graded materials: a finite element analysis
    Oshkour AA, Abu Osman NA, Yau YH, Tarlochan F, Abas WA
    Proc Inst Mech Eng H, 2013 Jan;227(1):3-17.
    PMID: 23516951
    This study aimed to develop a three-dimensional finite element model of a functionally graded femoral prosthesis. The model consisted of a femoral prosthesis created from functionally graded materials (FGMs), cement, and femur. The hip prosthesis was composed of FGMs made of titanium alloy, chrome-cobalt, and hydroxyapatite at volume fraction gradient exponents of 0, 1, and 5, respectively. The stress was measured on the femoral prosthesis, cement, and femur. Stress on the neck of the femoral prosthesis was not sensitive to the properties of the constituent material. However, stress on the stem and cement decreased proportionally as the volume fraction gradient exponent of the FGM increased. Meanwhile, stress became uniform on the cement mantle layer. In addition, stress on the femur in the proximal part increased and a high surface area of the femoral part was involved in absorbing the stress. As such, the stress-shielding area decreased. The results obtained in this study are significant in the design and longevity of new prosthetic devices because FGMs offer the potential to achieve stress distribution that more closely resembles that of the natural bone in the femur.
    Matched MeSH terms: Computer-Aided Design
  14. Nanofork for single cells adhesion measurement via ESEM-nanomanipulator system
    Ahmad MR, Nakajima M, Kojima M, Kojima S, Homma M, Fukuda T
    IEEE Trans Nanobioscience, 2012 Mar;11(1):70-8.
    PMID: 22275723 DOI: 10.1109/TNB.2011.2179809
    In this paper, single cells adhesion force was measured using a nanofork. The nanofork was used to pick up a single cell on a line array substrate inside an environmental scanning electron microscope (ESEM). The line array substrate was used to provide small gaps between the single cells and the substrate. Therefore, the nanofork could be inserted through these gaps in order to successfully pick up a single cell. Adhesion force was measured during the cell pick-up process from the deflection of the cantilever beam. The nanofork was fabricated using focused ion beam (FIB) etching process while the line array substrate was fabricated using nanoimprinting technology. As to investigate the effect of contact area on the strength of the adhesion force, two sizes of gap distance of line array substrate were used, i.e., 1 μm and 2 μm. Results showed that cells attached on the 1 μm gap line array substrate required more force to be released as compared to the cells attached on the 1 μm gap line array substrate.
    Matched MeSH terms: Computer-Aided Design
  15. Dimensional optimization of nanowire--complementary metal oxide--semiconductor inverter
    Hashim Y, Sidek O
    J Nanosci Nanotechnol, 2013 Jan;13(1):242-9.
    PMID: 23646723
    This study is the first to demonstrate dimensional optimization of nanowire-complementary metal-oxide-semiconductor inverter. Noise margins and inflection voltage of transfer characteristics are used as limiting factors in this optimization. Results indicate that optimization depends on both dimensions ratio and digital voltage level (Vdd). Diameter optimization reveals that when Vdd increases, the optimized value of (Dp/Dn) decreases. Channel length optimization results show that when Vdd increases, the optimized value of Ln decreases and that of (Lp/Ln) increases. Dimension ratio optimization reveals that when Vdd increases, the optimized value of Kp/Kn decreases, and silicon nanowire transistor with suitable dimensions (higher Dp and Ln with lower Lp and Dn) can be fabricated.
    Matched MeSH terms: Computer-Aided Design
  16. Fulltext Controversies with nonoperative management for adolescent idiopathic scoliosis: Study from the APSS Scoliosis Focus Group
    Cheung JPY, Cheung PWH, Shigematsu H, Takahashi S, Kwan MK, Chan CYW, et al.
    J Orthop Surg (Hong Kong), 2020 6 13;28(2):2309499020930291.
    PMID: 32529908 DOI: 10.1177/2309499020930291
    PURPOSE: To determine consensus among Asia-Pacific surgeons regarding nonoperative management for adolescent idiopathic scoliosis (AIS).

    METHODS: An online REDCap questionnaire was circulated to surgeons in the Asia-Pacific region during the period of July 2019 to September 2019 to inquire about various components of nonoperative treatment for AIS. Aspects under study included access to screening, when MRIs were obtained, quality-of-life assessments used, role of scoliosis-specific exercises, bracing criteria, type of brace used, maturity parameters used, brace wear regimen, follow-up criteria, and how braces were weaned. Comparisons were made between middle-high income and low-income countries, and experience with nonoperative treatment.

    RESULTS: A total of 103 responses were collected. About half (52.4%) of the responders had scoliosis screening programs and were particularly situated in middle-high income countries. Up to 34% obtained MRIs for all cases, while most would obtain MRIs for neurological problems. The brace criteria were highly variable and was usually based on menarche status (74.7%), age (59%), and Risser staging (92.8%). Up to 52.4% of surgeons elected to brace patients with large curves before offering surgery. Only 28% of responders utilized CAD-CAM techniques for brace fabrication and most (76.8%) still utilized negative molds. There were no standardized criteria for brace weaning.

    CONCLUSION: There are highly variable practices related to nonoperative treatment for AIS and may be related to availability of resources in certain countries. Relative consensus was achieved for when MRI should be obtained and an acceptable brace compliance should be more than 16 hours a day.

    Matched MeSH terms: Computer-Aided Design
  17. Fulltext Development and virtual validation of a novel digital workflow to rehabilitate palatal defects by using smartphone-integrated stereophotogrammetry (SPINS)
    Farook TH, Jamayet NB, Asif JA, Din AS, Mahyuddin MN, Alam MK
    Sci Rep, 2021 04 19;11(1):8469.
    PMID: 33875672 DOI: 10.1038/s41598-021-87240-9
    Palatal defects are rehabilitated by fabricating maxillofacial prostheses called obturators. The treatment incorporates taking deviously unpredictable impressions to facsimile the palatal defects into plaster casts for obturator fabrication in the dental laboratory. The casts are then digitally stored using expensive hardware to prevent physical damage or data loss and, when required, future obturators are digitally designed, and 3D printed. Our objective was to construct and validate an economic in-house smartphone-integrated stereophotogrammetry (SPINS) 3D scanner and to evaluate its accuracy in designing prosthetics using open source/free (OS/F) digital pipeline. Palatal defect models were scanned using SPINS and its accuracy was compared against the standard laser scanner for virtual area and volumetric parameters. SPINS derived 3D models were then used to design obturators by using (OS/F) software. The resultant obturators were virtually compared against standard medical software designs. There were no significant differences in any of the virtual parameters when evaluating the accuracy of both SPINS, as well as OS/F derived obturators. However, limitations in the design process resulted in minimal dissimilarities. With further improvements, SPINS based prosthetic rehabilitation could create a viable, low cost method for rural and developing health services to embrace maxillofacial record keeping and digitised prosthetic rehabilitation.
    Matched MeSH terms: Computer-Aided Design
  18. Fulltext Design process of cementless femoral stem using a nonlinear three dimensional finite element analysis
    Baharuddin MY, Salleh ShH, Zulkifly AH, Lee MH, Noor AM, A Harris AR, et al.
    BMC Musculoskelet Disord, 2014;15:30.
    PMID: 24484753 DOI: 10.1186/1471-2474-15-30
    Minimal available information concerning hip morphology is the motivation for several researchers to study the difference between Asian and Western populations. Current use of a universal hip stem of variable size is not the best option for all femur types. This present study proposed a new design process of the cementless femoral stem using a three dimensional model which provided more information and accurate analysis compared to conventional methods.
    Matched MeSH terms: Computer-Aided Design*
  19. Edentulous arch treatment with a CAD/CAM screw-retained framework and cemented crowns: a clinical case report
    Baig MR, Rajan G, Rajan M
    J Oral Implantol, 2009;35(6):295-9.
    PMID: 20017646 DOI: 10.1563/AAID-JOI-D-09-00012R1.1
    This article describes the rehabilitation of a completely edentulous patient using a milled titanium implant framework and cemented crowns. This combined approach significantly offsets unsuitable implant position, alignment, or angulation, while ensuring the easy retrievability, repair, and maintenance of the prosthesis. Hence, the dual advantage of cemented-retained crowns reproducing appropriate esthetics and function, irrespective of where the screw access openings are located in the substructure, can be obtained, along with the splinting effect and management of soft and hard tissue deficits achievable with a screw-retained framework.
    Matched MeSH terms: Computer-Aided Design*
  20. Synthesis, enzyme inhibition and molecular docking studies of 1-Arylsulfonyl-4-phenylpiperazine derivatives
    Abbasi MA, Anwar A, Rehman A, Siddiqui SZ, Rubab K, Shah SAA, et al.
    Pak J Pharm Sci, 2017 Sep;30(5):1715-1724.
    PMID: 29084694
    Heterocyclic molecules have been frequently investigated to possess various biological activities during the last few decades. The present work elaborates the synthesis and enzymatic inhibition potentials of a series of sulfonamides. A series of 1-arylsulfonyl-4-Phenylpiperazine (3a-n) geared up by the reaction of 1-phenylpiperazine (1) and different (un)substituted alkyl/arylsulfonyl chlorides (2a-n), under defined pH control using water as a reaction medium. The synthesized molecules were characterized by 1H-NMR, 13C-NMR, IR and EI-MS spectral data. The enzyme inhibition study was carried on α-glucosidase, lipoxygenase (LOX), acetyl cholinesterase (AChE) and butyryl cholinesterase (BChE) enzymes supported by docking simulation studies and the IC50 values rendered a few of the synthesized molecules as moderate inhibitors of these enzymes where, the compound 3e exhibited comparatively better potency against α-glucosidase enzyme. The synthesized compounds showed weak or no inhibition against LOX, AChE and BChE enzymes.
    Matched MeSH terms: Computer-Aided Design*
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