PubMed İndeksli Yayınlar Koleksiyonu

Permanent URI for this collectionhttps://gcris.khas.edu.tr/handle/20.500.12469/4466

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Now showing 1 - 20 of 109

Citation Count: 1
3D-printed actuator-based beam-steering approach for improved physical layer security in visible light communication
(Optica Publishing Group, 2022) Erdem, Mehmet Can; Gurcuoglu, Oguz; Panayırcı, Erdal; Kurt, Gunes Karabulut; Ferhanoglu, Onur
In this study, we present the design, manufacture, and implementation of a 3D-printed lens scanner-based beam steering for use in visible light communication (VLC) applications. The 5 cm x 5 cm scanner is designed for low-cost 3D printing with fused deposition modeling using polylactic acid. Scanning is facilitated through electromagnetic actuation of the lens frame, carrying a conventional 25 mm lens, from two nearly orthogonal directions. The serpentine spring that connects the lens frame to the external frame is tailored to offer similar spring constants in the directions of actuation and has minimal (<1.5 mm) sag due to the mass of the lens. The manufactured actuator was integrated on a miniaturized VLC test bed (70 cm x 40 cm x 40 cm). Using the test bed, we characterized the applied voltage versus beam displacement behavior of the actuator in the lateral plane and demonstrated beam steering on amoving target with face-recognition feedback. The proposed scheme was targeted to offer an improved security measure in VLC through tracking the legitimate receiver (i.e., via face recognition) and uses the feedback to steer the focused light onto the targeted device. The joint use of focusing and steering features allows for the legitimate receiver to roam within the room while enjoying the improved secrecy due to the focused light. We calculate the secrecy capacity for the demonstrated approach, which compares favorably with a number of jamming, spatial modulation, and beam-forming counterparts. The presented actuator can be used with larger room dimensions, yet upscaling to larger illumination units will require the use of a lens having smaller focus to address a larger total steering angle. (C) 2022 Optica Publishing Group
Citation Count: 3
Abortion services at hospitals in Istanbul
(Taylor & Francis Ltd, 2017) O'Neil, Mary Lou
Objective: Despite the existence of a liberal law on abortion in Turkey there is growing evidence that actually securing an abortion in Istanbul may prove difficult. This study aimed to determine whether or not state hospitals and private hospitals that accept state health insurance in Istanbul are providing abortion services and for what indications. Method: Between October and December 2015 a mystery patient telephone survey of 154 hospitals 43 public and 111 private in Istanbul was conducted. Results: 14% of the state hospitals in Istanbul perform abortions without restriction as to reason provided in the current law while 60% provide the service if there is a medical necessity. A quarter of state hospitals in Istanbul do not provide abortion services at all. 48.6% of private hospitals that accept the state health insurance also provide for abortion without restriction while 10% do not provide abortion services under any circumstances. Key conclusions: State and private hospitals in Istanbul are not providing abortion services to the full extent allowed under the law. The low numbers of state hospitals offering abortions without restriction indicates a de facto privatization of the service. This same trend is also visible in many private hospitals partnering with the state that do not provide abortion care. While many women may choose a private provider the lack of provision of abortion care at state hospitals and those private hospitals working with the state leaves women little option but to purchase these services from private providers at some times subtantial costs.
Citation Count: 18
Absolute configuration and biological profile of pyrazoline enantiomers as MAO inhibitory activity
(Wiley, 2019) Yelekçi, Kemal; Sarıgül, Sevgi; Bultinck, Patrick; Herrebout, Wouter; Doğan, İlknur; Yelekçi, Kemal; Uçar, Gülberk; Kelekçi, Nesrin Gökhan
A new racemic pyrazoline derivative was synthesized and resolved to its enantiomers using analytic and semipreparative high-pressure liquid chromatography. The absolute configuration of both fractions was established using vibrational circular dichroism. The in vitro monoamine oxidase (MAO) inhibitory profiles were evaluated for the racemate and both enantiomers separately for the two isoforms of the enzyme. The racemic compound and both enantiomers were found to inhibit hMAO-A selectively and competitively. In particular the R enantiomer was detected as an exceptionally potent and a selective MAO-A inhibitor (K-i = 0.85 x 10(-3) +/- 0.05 x 10(-3) mu M and SI: 2.35 x 10(-5)) whereas S was determined as poorer compound than R in terms of K-i and SI (0.184 +/- 0.007 and 0.001). The selectivity of the enantiomers was explained by molecular modeling docking studies based on the PDB enzymatic models of MAO isoforms.
Antibiyotikli kemik çimentosunun 0 ve 15. günlerde mekanik dayanımı: Surgical Simplex P kemik çimentosu ve teikoplanin ile biyomekanik çalışma
(Türk Ortopedi ve Travmatoloji Derneği, 2002) Göğüş, Abdullah; Akman, Şenol; Göksan, Bora S.; Bozdağ, Ergün
Amaç: Mekanik dayanım açısından 40 gr belirli bir kemik çimentosuna katılabilecek belirli bir antibiyotiğin maksimum dozu "0. gün" ve antibiyotik salınımı sonrası "15. gün" için araştırıldı. Çalışma planı: 40 g Surgical Simplex P kemik çimentosuna 0, 400, 800,1200,1600, 2000, 3200 ve 4000 mg teikoplanin katılarak sekiz deney grubu oluşturuldu. Kompresyon ve dört nokta eğme mekanik dayanım testleri için üçüncü kuşak sement hazırlama ve uygulama koşullarında örnekler elde edildi. Her bir konsantrasyon için "0. gün" ve "15. gün" için 10'ar örnek oluşturuldu. Örneklerin mekanik dayanım testleri ASTM ve ISO standartlarına göre "0. gün" ve 37∘ C su banyosunda antibiyotik salınımı sonrası "15. gün"de yapıldı. Değişik antibiyotik konsantrasyonları 0 mg kontrol grubu ile, ayrıca aynı antibiyotik konsantrasyonlarının 0. gün ve 15. gün mekanik test sonuçları karşılaştırıldı. Sonuçlar: Kompresyon testlerinde "0. gün" grubu içinde anlamlı farklılık bulunmadı; "15. gün" grubunda ise 800 mg'den itibaren anlamlı dayanım azalması saptandı. Her iki grupta tüm konsantrasyonlarda elde edilen mekanik dayanım değerleri ASTM alt limiti olan 70 MPa'nın üzerindeydi. Dört nokta eğme testinde "0. gün" grubunda 1200 mg'den itibaren, "15. gün" grubunda ise 400 mg'den itibaren anlamlı dayanım azalması saptandı. "15. gün" grubundan 4000 mg ISO'nun alt limiti olan 50 MPa'nın altında kalırken, 3200 ve 2000 mg gruplarında 50 MPa'ya çok yakın sonuçlar elde edildi. Çıkarımlar: Deney sonuçları, üçüncü kuşak çimento hazırlama ve uygulama koşullarında, 40 gr Surgical Simplex P kemik çimentosuna güvenle katılabilecek en yüksek teikoplanin dozunun 1600 mg olduğunu gösterdi.
Citation Count: 7
Apolipoprotein B gene variants are involved in the determination of blood glucose and lipid levels in patients with non-insulin dependent diabetes mellitus
(Wiley, 2006) Duman, Belgin Süsleyici; Öztürk, Melek; Yilmazer, Selma; Çağatay, Penbe; Hatemi, Hüsrev
We have examined the frequency of the EcoRI XbaI and MspI RFLPs of the apolipoprotein B (apo 13) gene in I 10 type 2 diabetic patients and 9 1 healthy control subjects in order to ascertain whether variation in this gene may influence the development of non-insulin dependent diabetes mellitus (type 2 diabetes). Serum lipids including total-cholesterol (T-Chol) triacylglycerol (TAG) apolipoprotein E (apo E) apolipoprotein Al (apo Al) apolipoprotein B and lipoprotein (a) (Lp(a)) were analysed. Genomic DNA was extracted and the apo B polymorphic regions amplified by the polymerase chain reaction. Regions carrying EcoRI XbaI and MspI restriction sites present in the apo B gene were amplified and digested separately by the respective enzymes. No significant difference for genotypic frequencies was observed for the EcoRI XbaI and MspI restriction sites in type 2 diabetic patients as compared to controls. Type 2 diabetic patients and controls with EcoRI +/+ and XbaI +/+ genotypes had higher apo E levels. The MspI +/+ genotype is more frequent in the patient and control groups With elevated T-Chol. Furthermore the EcoRI -/- XbaI -/- and MspI +/+ genotypes were found to be significantly more frequent in type 2 diabetic patients with higher blood glucose levels. This study identifies the apo B gene polymorphisms in modulating plasma lipid/lipoprotein and glucose levels in patients with type 2 diabetes. Copyright 0 2005 John Wiley & Sons Ltd.
Citation Count: 1
Assessing protein-ligand binding modes with computational tools: the case of PDE4B
(Springer, 2017) Çifii, Gülşah; Aviyente, Viktorya; Akten, Ebru Demet; Monard, Gerald
In a first step in the discovery of novel potent inhibitor structures for the PDE4B family with limited side effects we present a protocol to rank newly designed molecules through the estimation of their IC values. Our protocol is based on reproducing the linear relationship between the logarithm of experimental IC values [(IC)] and their calculated binding free energies (). From 13 known PDE4B inhibitors we show here that (1) binding free energies obtained after a docking process by AutoDock are not accurate enough to reproduce this linear relationship
Citation Count: 4
Augmentation mentoplasty using a custom-design wire cage
(Lippincott Williams & Wilkins, 2003) Erol ,O.; Enacar, A.
Mentoplasty is often a complimentary procedure to rhinoplasty. At least 25% of all rhinoplasty patients may need a chin implant to balance facial features better. Augmentation mentoplasty using alloplastic implants such as silicone rubber or other materials provides a simple approach to the treatment of the hypoplastic chin. Although these types of implants are readily available in developed countries there are parts of the world where they are unavailable or quite expensive. The authors have developed a chin implant made of wire that is available throughout the world and is custom designed to the mentum of the patient after a cephalometric evaluation. This technique has been used in 125 patients along with rhinoplasty over the last 20 years at our institution. In an initial series of 8 patients the prosthesis became displaced and was removed in 2 patients. Since then a new radiographic technique has been developed to demonstrate the shape of the mentum before surgery and new bone formation after surgery. By using this special radiographic technique it was possible to detect four types of mentum before surgery and to construct a custom-design wire cage according to this shape. The prosthesis is constructed by an orthodontist according to the cephalometric measurements and shape of the mentum. By using the buccal approach a pocket is prepared subperiosteally and a wire cage is inserted. In the last 20 cases the wire cage was filled with diced cartilage wrapped with Surgicel. The results were esthetically satisfactory in most patients. After the shape of the wire prosthesis was modified to conform to the shape of the underlying bone better no displacement of the prosthesis has been experienced. In 3 patients it was necessary to remove the prosthesis when new tissue formation began to fill the prosthesis. These specimens were examined histologically and the regenerating tissue was found to be connective tissue with a thin layer of bone formation. Most patients could be followed up for only 3 to 12 years. In all patients the results have been consistent and the procedure has been safe.
Citation Count: 12
Blind Dockings of Benzothiazoles to Multiple Receptor Conformations of Triosephosphate Isomerase from Trypanosoma cruzi and Human
(Wiley-VCH Verlag GmbH, 2011) Kurkcuoglu, Zeynep; Ural, Gulgun; Akten, Ebru Demet; Doruker, Pemra
We aim to uncover the binding modes of benzothiazoles which have been reported as specific inhibitors of triosephosphate isomerase from the parasite Trypanosoma cruzi (TcTIM) by performing blind dockings on both TcTIM and human TIM (hTIM). Detailed analysis of binding sites and specific interactions are carried out based on ensemble dockings to multiple receptor conformers obtained from molecular dynamics simulations. In TcTIM dimer dockings the inhibitors preferentially bind to the tunnel-shaped cavity formed at the interface of the subunits whereas non-inhibitors mostly choose other sites. In contrast TcTIM monomer binding interface and hTIM dimer interface do not present a specific binding site for the inhibitors. These findings point to the importance of the tunnel and of the dimeric form for inhibition of TcTIM. Specific interactions of the inhibitors and their sulfonate-free derivatives with the receptor residues indicate the significance of sulfonate group for binding affinity and positioning on the TcTIM dimer interface. One of the inhibitors also binds to the active site which may explain its relatively higher inhibition effect on hTIM.
Citation Count: 2
Captain or deckhand? The impact of self-leadership on employees' work role performance under remote work
(Frontiers Media Sa, 2022) Maden-Eyiusta, Ceyda; Alparslan, Suzan Ece
Relying on self-determination theory, this study investigates the mediating role of psychological empowerment in the relationship between self-leadership and work role performance (task proficiency, task adaptivity, and task proactivity) in remote work settings. It also explores whether and how supervisor close monitoring moderates the indirect impact of self-leadership on work role performance. Hypotheses were tested using a two-study design including white-collar employees from a broad range of jobs and companies (Study 1) and employee-supervisor dyads working in small and medium-sized firms (Study 2) in Turkey. In Study 1, results showed that self-leadership had a positive indirect effect on employees' work role performance through psychological empowerment. In Study 2, the cross-lagged two-wave design provided support for this indirect effect while demonstrating partial support for the moderating role of supervisor close monitoring. The current study contributes to research on self-leadership and work role performance by providing a detailed understanding of the motivational process through which self-leadership leads to increased work role performance. It also offers practical insights for enhancing self-leaders' work role performance, particularly within the remote work context.
Citation Count: 18
Carboxylic acid derivatives display potential selectivity for human histone deacetylase 6: Structure-based virtual screening molecular docking and dynamics simulation studies
(Elsevier Science, 2018) Yelekçi, Kemal; Yelekçi, Kemal
Human histone deacetylase 6 (HDAC6) has been shown to play a major role in oncogenic cell transformation via deacetylation of alpha-tubulin making it a viable target of anticancer drug design and development. The crystal structure of HDAC6 catalytic domain 2 has been recently made available providing avenues for structure-based drug design campaign. Here in our continuous effort to identify potentially selective HDAC6 inhibitors structure-based virtual screening of similar to 72 461 compounds was carried out using Autodock Vina. The top 100 compounds with calculated Delta G < -10 kcal/mol were manually inspected for binding mode orientation. Furthermore the top 20 compounds with reasonable binding modes were evaluated for selectivity by further docking against HDAC6 and HDAC7 using Autodock4. Four compounds with a carboxylic fragment displayed potential selectivity for HDAC6 over HDAC7 and were found to have good druglike and ADMET properties. Their docking complexes were then submitted to 10 ns-molecular dynamics (MD) simulation using nanoscale MD (NAMD) software to examine the stability of ligand binding modes. These predicted inhibitors remained bound to HDAC6 in the presence of water and ions and the root-mean-square deviation (RMSD) radius of gyration (Rg) and nonbond distance (protein-ligand) profiles suggested that they might be stable over time of the simulation. This study may provide scaffolds for further lead optimization towards the design of HDAC6 inhibitors with improved selectivity. (C) 2018 Elsevier Ltd. All rights reserved.
Citation Count: 1
Cervical spine injuries in children
(2004) Hamzaoglu, A.; Mirzanli, C.
Cervical spine injuries in children and adolescents are rare. Common mechanisms include motor vehicle accidents, sports injuries, fall from height, and gunshot injuries. Cervical spine injuries are classified by Allen and Ferguson according to the period they occur, as infantile, early juvenile, and late juvenile. Anatomically, two main types are defined as occipitoatlantal (upper cervical) and subaxial injuries. The purpose of this paper is to review cervical spine injuries in children and adolescents with respect to epidemiology, injury mechanisms, diagnosis, clinical and radiologic aspects, and treatment in the light of the current literature.
Citation Count: 6
Comparison of the BBL-mycobacteria growth indicator tube method with culture in the diagnosis of tuberculosis and evaluation of the resistance patterns of isolated strains to four major drugs
(Karger, 2002) Kocazeybek, Bekir Sami
The BBL-mycobacteria growth indicator tube system (MGIT) is used for a rapid detection of the presence of mycobacteria. Our study aimed to compare MGIT with the Lowenstein-Jensen (LJ) reference method in clinical samples with suspected pulmonary and extrapulmonary tuberculosis and to evaluate the primary and secondary resistance patterns by determining the resistances of the isolated strains to four major anti mycobacteria I drugs. 648 clinical samples from different clinics with suspected pulmonary or extrapulmonary tuberculosis based on clinical radiological histopathological and immunological findings were included in the investigation. The samples were first stained with Ziehl-Neelsen (ZN) and then cultured in LJ medium according to the standard bacteriological procedure and in the MGIT as recommended by the manufacturer. Conventional biochemical tests and p-nitro-alpha-acethylamino-beta-hydroxypropiophene of the Bactec system were used to identify the isolated mycobacterial strains. The susceptibilities to streptomycin isoniazid rifampicin ethambutol were tested by the BBL-MGIT antibiotic susceptibility test and the resistances of the strains found to be resistant to any of the drugs were confirmed by the agar proportion method. Mycobacterium spp. were isolated in 61 (9.4%) out of 648 samples. Eventually 58 out of 61 strains were classified as Mycobacterium tuberculosis and the other 3 as Mycobacterium tuberculosis complex. 32 of these were ZN positive. The growth time was determined as 12.2 days by the MGIT method and 24.1 days by the LJ method (p < 0.001). 29 strains were ZN negative. Their growth time was 23 days by the MGIT method and 37 days by the LJ method (p < 0.001). Drug resistance was detected in 23 (37.7%) of 61 cases (of whom 39 were new and 22 were former patients)
Citation Count: 48
A computational study on the amine-oxidation mechanism of monoamine oxidase: Insight into the polar nucleophilic mechanism
(Royal Soc Chemistry, 2006) Yelekçi, Kemal; Karahan, Özlem; Yıldız, İbrahim; Yelekçi, Kemal
The proposed polar nucleophilic mechanism of MAO was investigated using quantum chemical calculations employing the semi-empirical PM3 method. In order to mimic the reaction at the enzyme's active site the reactions between the flavin and the p-substituted benzylamine substrate analogs were modeled. Activation energies and rate constants of all the reactions were calculated and compared with the published experimental data. The results showed that electron-withdrawing groups at the para position of benzylamine increase the reaction rate. A good correlation between the log of the calculated rate constants and the electronic parameter (sigma) of the substituent was obtained. These results agree with the previous kinetic experiments on the effect of p-substituents on the reduction of MAO-A by benzylamine analogs. In addition the calculated rate constants showed a correlation with the rate of reduction of the flavin in MAO-A. In order to verify the results obtained from the PM3 method single-point B3LYP/6-31G*//PM3 calculations were performed. These results demonstrated a strong reduction in the activation energy for the reaction of benzylamine derivatives having electron-withdrawing substituents which is in agreement with the PM3 calculations and the previous experimental QSAR study. PM3 and B3LYP/6-31G* energy surfaces were obtained for the overall reaction of benzylamine with flavin. Results suggest that PM3 is a reasonable method for studying this kind of reaction. These theoretical findings support the proposed polar nucleophilic mechanism for MAO-A.
Citation Count: 2
Cryogenic X-ray crystallographic studies of biomacromolecules at Turkish Light Source Turkish DeLight
(Tubitak Scientific & Technological Research Council Turkey, 2023) Atalay, Necati; Akcan, Enver Kamil; Gul, Mehmet; Ayan, Esra; Destan, Ebru; Ertem, Fatma Betuel; Tokay, Nurettin
X-ray crystallography is a robust and powerful structural biology technique that provides high-resolution atomic structures of biomacromolecules. Scientists use this technique to unravel mechanistic and structural details of biological macromolecules (e.g., proteins, nucleic acids, protein complexes, protein-nucleic acid complexes, or large biological compartments). Since its inception, single-crystal cryocrystallography has never been performed in Turkiye due to the lack of a single-crystal X-ray diffractometer. The X-ray diffraction facility recently established at the University of Health Sciences, Istanbul, Turkiye will enable Turkish and international researchers to easily perform high-resolution structural analysis of biomacromolecules from single crystals. Here, we describe the technical and practical outlook of a state-of-the-art home-source X-ray, using lysozyme as a model protein. The methods and practice described in this article can be applied to any biological sample for structural studies. Therefore, this article will be a valuable practical guide from sample preparation to data analysis.
Citation Count: 0
Decoding cultural conflicts
(Frontiers Media Sa, 2023) Yegin, Afşar; Puranam, Phanish; Yegin, Afsar
As pioneers of the Carnegie Perspective recognized, conflicts in organizations can exist even when incentives of all parties are aligned. These can often be traced to differences in cognitions such as beliefs and values, which are foundational components of any given culture. This paper refines the operationalization of cultural clashes by identifying differences in beliefs about causality (which actions cause which outcomes) and morality (in the broad sense of what is evaluated as desirable) as two fundamental sources of conflict. In our first study, we demonstrate empirically that participants recognize and distinguish between these two sources of conflict. In our second study, we test the hypotheses that while misalignments in either causal or moral codes increase observers' perceptions of relationship conflict, negative affect, likelihood of avoidance, and lower perceived likelihood of conflict resolution, the effects are stronger for misalignments in moral codes than misalignments in causal codes and strongest when both causal and moral codes are misaligned. We test these arguments using vignette-based experimental studies. Our findings support our hypotheses. This research has significant implications for the understanding of conflict dynamics within and beyond organizational contexts. By recognizing the pivotal role of cultural differences in shaping conflicts, organizations and decision-makers can better anticipate, manage, and potentially preempt such conflicts.
Citation Count: 5
Designing of multi-targeted molecules using combination of molecular screening and in silico drug cardiotoxicity prediction approaches
(Elsevier Science Inc, 2014) Buturak, Birce; Durdagi, Serdar; Noskov, Sergei Y.; Ildeniz, A. Tugba Ozal
We have previously investigated and reported a set of phenol- and indole-based derivatives at the binding pockets of carbonic anhydrase isoenzymes using in silico and in vitro analyses. In this study we extended our analysis to explore multi-targeted molecules from this set of compounds. Thus 26 ligands are screened at the binding sites of 229 proteins from 5 main enzyme family classes using molecular docking algorithms. Derived docking scores are compared with reported results of ligands at carbonic anhydrase I and II isoenzymes. Results showed potency of multi-targeted drugs of a few compounds from investigated ligand set. These promising ligands are then tested in silico for their cardiotoxicity risks. Results of this work can be used to improve the desired effects of these compounds by molecular engineering studies. In addition these results may lead to further investigation of studied molecules by medicinal chemists to explore different therapeutic aims. (C) 2014 Elsevier Inc. All rights reserved.
Citation Count: 7
Direct Bullying and Cyberbullying: Experimental Study of Bystanders' Motivation to Defend Victims and the Role of Anxiety and Identification With the Bully
(FRONTIERS MEDIA SA, 2021-01) Jungert, Tomas; Karataş, Pınar; Iotti, Nathalie Ophelia; Perrin, Sean
School bullying among young adolescents is a globally pervasive problem, but is less common when bystanders are motivated to defend victims. Thus, the focus of this experimental study is on motivation to defend victims of bullying. Methods: A total of 388 students (M (age) = 12.22 years, 49.7% girls) from two Turkish public schools (5th-8th grade) participated in a vignette experiment. Students were randomized to one of two vignettes (direct vs. cyberbullying). Self-report measures of motivation to defend, trait anxiety, depression, and identification with the victim or bully were used. Results: Participants reported more autonomous motivation in the cyberbullying condition, while those who witnessed direct bullying reported higher anxiety and depression. Results also revealed that this type of condition was associated with anxiety and depression, while anxiety was associated with autonomous motivation to defend. Finally, participants in the direct bullying condition were more likely to identify with the bully. Conclusion: Findings advance our understanding of when and why adolescents are motivated to help victims of bullying because they give a richer picture of what they assess when deciding whether or not they should intervene.
Citation Count: 5
Discovery of high affinity ligands for beta(2)-adrenergic receptor through pharmacophore-based high-throughput virtual screening and docking
(Elsevier Science Inc, 2014) Yakar, Rüya; Akten, Ebru Demet
Novel high affinity compounds for human beta(2)-adrenergic receptor (beta(2)-AR) were searched among the clean drug-like subset of ZINC database consisting of 9928465 molecules that satisfy the Lipinski's rule of five. The screening protocol consisted of a high-throughput pharmacophore screening followed by an extensive amount of docking and rescoring. The pharmacophore model was composed of key features shared by all five inactive states of beta(2)-AR in complex with inverse agonists and antagonists. To test the discriminatory power of the pharmacophore model a small-scale screening was initially performed on a database consisting of 117 compounds of which 53 antagonists were taken as active inhibitors and 64 agonists as inactive inhibitors. Accordingly 7.3% of the ZINC database subset (729413 compounds) satisfied the pharmacophore requirements along with 44 antagonists and 17 agonists. Afterwards all these hit compounds were docked to the inactive apo form of the receptor using various docking and scoring protocols. Following each docking experiment the best pose was further evaluated based on the existence of key residues for antagonist binding in its vicinity. After final evaluations based on the human intestinal absorption (HIA) and the blood brain barrier (BBB) penetration properties 62 hit compounds have been clustered based on their structural similarity and as a result four scaffolds were revealed. Two of these scaffolds were also observed in three high affinity compounds with experimentally known K-i values. Moreover novel chemical compounds with distinct structures have been determined as potential beta(2)-AR drug candidates. (C) 2014 Elsevier Inc. All rights reserved.
Citation Count: 2
DNA polymorphism of Pvu II site in the lipoprotein lipase gene in patients with non-insulin dependent diabetes mellitus
(Wiley, 2005) Duman, Belgin Süsleyici; Öztürk, Melek; Yilmazer, Selma; Çağatay, Penbe; Hatemi, Hüsrev
We studied the effect of variation at the lipoprotein lipase (LPL) gene locus on the susceptibility of individuals with non-insulin dependent diabetes mellitus (NIDDM) in a population of 110 NIDDM patients and 91 controls. Our objective was to study the relationship between the LPL-Pvu II polymorphism and NIDDM and lipid metabolism. PCR-RFLP was used to determine the DNA polymorphism of the sixth intron of the LPL gene. The frequencies of the genotypes in case and control groups were 29.1 and 30.8% for P+/P+
Citation Count: 19
Docking of novel reversible monoamine oxidase-B inhibitors
(Springer Wien, 2007) Yelekci, K.; Karahan, O.; Toprakci, M.
Monoamine oxidase (MAO, EC 1.4.3.4) is a flavoenzyme bound to the mitochondrial outer membranes of the cells, which is responsible for the oxidative deamination of neurotransmitter and dietary amines. It has two distinct isozymic forms, designated MAO-A and MAO-B, each displaying different substrate and inhibitor specificities. They are the well-known target for antidepressant, Parkinson's disease and neuroprotective drugs. Elucidation of the x-ray crystallographic structure of MAO-B has opened the way for molecular modeling studies. In this research 12 reversible and MAO-B selective inhibitors have been docked computationally to the active site of the MAO-B enzyme. AutoDock 3.0.5 was employed to perform the automated molecular docking. The result of docking studies generated thermodynamic properties, such as free energy of bindings (Delta G(b)) and inhibition constants (K-i) for the inhibitors. Moreover, 3D pictures of inhibitor-enzyme complexes afforded valuable data regarding the binding orientation of each inhibitor in the active site of MAO-B.

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