Search results for: Belaidi El Yazid
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 19

Search results for: Belaidi El Yazid

19 Integration of a Load Switch with DC/DC Buck Converter for Power Distribution in Low Cost Educational Nanosatellite

Authors: Bentoutou Houari, Boutte Aissa, Belaidi El Yazid, Limam Lakhdar

Abstract:

The integration of a load switch with a DC/DC buck converter using LM2596 for power distribution in low-cost educational nanosatellites is a technique that aims to efficiently manage the power distribution system in these small spacecraft. The converter is based on the LM2596 regulator and designed to step down the input voltage of +16.8V to +12V, +5V, and +3.3V output, which are suitable for the nanosatellite's various subsystems. The load switch is based on MOSFET and is used to turn on or off the power supply to a particular load and protect the nanosatellite from power surges. A prototype of a +12V DC/DC buck converter with a high side load switch has been realized and tested, which meets our requirements and shows a good efficiency of 89%. In addition, the prototype features a capacitor between the source and gate of the MOSFET, which has effectively reduced the inrush current, demonstrating the effectiveness of this approach in reducing surges of current when the load is connected. The output current and voltage were measured at 0.7A and 11.89V, respectively, making this design suitable for use in low-cost educational nanosatellites.

Keywords: DC/DC buck converter, load switch, LM2596, electrical power subsystems, nanosatellite, inrush current

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18 Planning for a Sustainable Islamic City in Malaysia

Authors: Mohd Yazid M. Yunos, R. Arinah, Nor Kalsum M. Isa, U. Nangkula, Nor A. Ismail, Nor F. Ariffin

Abstract:

Islamic City planning is a concept of optimizing the overall arrangement of land use without compromising community. The concept was influenced by the specific intentions in mind, applying certain ideological principles and objectives rooted in Islamic faith and Muslim culture using distinct design elements. Holy Quran and hadiths provide a foundation for understanding Islamic Principles as clearly shared by the established Islamic Cities such as Medina, Mecca and Jerusalem. This paper aimed to explore the principles and elements of an Islamic City through the review of relevant literature by the means of Content Analysis method. A theoretical framework of Islamic City Principles was then formulated to be the main outcome of the study. The finding is very important to be a useful starting point for future study, especially for formulating a clear guide for the development of upcoming Islamic City in Malaysia.

Keywords: Islamic principles, sustainable city planning, Islamic city, Malaysia

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17 Quantitative Structure Activity Relationship Model for Predicting the Aromatase Inhibition Activity of 1,2,3-Triazole Derivatives

Authors: M. Ouassaf, S. Belaidi

Abstract:

Aromatase is an estrogen biosynthetic enzyme belonging to the cytochrome P450 family, which catalyzes the limiting step in the conversion of androgens to estrogens. As it is relevant for the promotion of tumor cell growth. A set of thirty 1,2,3-triazole derivatives was used in the quantitative structure activity relationship (QSAR) study using regression multiple linear (MLR), We divided the data into two training and testing groups. The results showed a good predictive ability of the MLR model, the models were statistically robust internally (R² = 0.982) and the predictability of the model was tested by several parameters. including external criteria (R²pred = 0.851, CCC = 0.946). The knowledge gained in this study should provide relevant information that contributes to the origins of aromatase inhibitory activity and, therefore, facilitates our ongoing quest for aromatase inhibitors with robust properties.

Keywords: aromatase inhibitors, QSAR, MLR, 1, 2, 3-triazole

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16 Facile, Cost Effective and Green Synthesis of Graphene in Alkaline Aqueous Solution

Authors: Illyas Isa, Siti Nur Akmar Mohd Yazid, Norhayati Hashim

Abstract:

We report a simple, green and cost effective synthesis of graphene via chemical reduction of graphene oxide in alkaline aqueous solution. Extensive characterizations have been studied to confirm the formation of graphene in sodium carbonate solution. Cyclic voltammetry was used to study the electrochemical properties of the prepared graphene-modified glassy carbon electrode using potassium ferricyanide as a redox probe. Based on the result, with the addition of graphene to the glassy carbon electrode the current flow increases and the peak also broadens as compared to graphite and graphene oxide. This method is fast, cost effective, and green as nontoxic solvents are used which will not result in contamination of the products. Thus, this method can serve for the preparation of graphene which can be effectively used in sensors, electronic devices and supercapacitors.

Keywords: chemical reduction, electrochemical, graphene, green synthesis

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15 Learning Example of a Biomedical Project from a Real Problem of Muscle Fatigue

Authors: M. Rezki, A. Belaidi

Abstract:

This paper deals with a method of learning to solve a real problem in biomedical engineering from a technical study of muscle fatigue. Electromyography (EMG) is a technique for evaluating and recording the electrical activity produced by skeletal muscles (viewpoint: anatomical and physiological). EMG is used as a diagnostics tool for identifying neuromuscular diseases, assessing low-back pain and muscle fatigue in general. In order to study the EMG signal for detecting fatigue in a muscle, we have taken a real problem which touches the tramway conductor the handle bar. For the study, we have used a typical autonomous platform in order to get signals at real time. In our case study, we were confronted with complex problem to do our experiments in a tram. This type of problem is recurring among students. To teach our students the method to solve this kind of problem, we built a similar system. Through this study, we realized a lot of objectives such as making the equipment for simulation, the study of detection of muscle fatigue and especially how to manage a study of biomedical looking.

Keywords: EMG, health platform, conductor’s tram, muscle fatigue

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14 Prevalence of Non-Adherence among Psychiatric Patients in Jordan: A Cross Sectional Study

Authors: Tareq L. Mukattash, Karem H. Alzoubi, Ejlal Abu El-Rub, Anan S. Jarab, Sayyer I. Al-Azzam, Maher Khdour, Mohammed Shara, Yazid N. Alhamarneh

Abstract:

Background: It has been estimated that up to 50% of any patient population is at least partially non-adherent to their prescribed treatment. Identifying barriers to adherence is required to develop effective interventions for psychiatric patients. Objective: To explore the prevalence and factors of non-adherence among psychiatric patients present at four psychiatric clinics. Method: A cross-sectional questionnaire-based study. A sample of psychiatric patients attending outpatient psychiatric clinics was enrolled between March and April 2011. Results: A total of 243 psychiatric patients took part in this study with the majority of patients (92.5%) being prescribed more than one psychiatric disorder. The majority (64.2%) of the patients was classified as non-adherent according to the Morisky adherence questionnaire and forgetfulness was the most prevalent reason for that. Conclusions: Non-adherence is a common and important issue among psychiatric patients. Polypharmacy, safety concerns and lack of insight towards the prescribed treatment were reported as the main reasons of non-adherence.

Keywords: medication adherence, psychiatric disorders, clinical pharmacy, polypharmacy

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13 Bias Optimization of Mach-Zehnder Modulator Considering RF Gain on OFDM Radio-Over-Fiber System

Authors: Ghazi Al Sukkar, Yazid Khattabi, Shifen Zhong

Abstract:

Most of the recent wireless LANs, broadband access networks, and digital broadcasting use Orthogonal Frequency Division Multiplexing techniques. In addition, the increasing demand of Data and Internet makes fiber optics an important technology, as fiber optics has many characteristics that make it the best solution for transferring huge frames of Data from a point to another. Radio over fiber is the place where high quality RF is converted to optical signals over single mode fiber. Optimum values for the bias level and the switching voltage for Mach-Zehnder modulator are important for the performance of radio over fiber links. In this paper, we propose a method to optimize the two parameters simultaneously; the bias and the switching voltage point of the external modulator of a radio over fiber system considering RF gain. Simulation results show the optimum gain value under these two parameters.

Keywords: OFDM, Mach Zehnder bias voltage, switching voltage, radio-over-fiber, RF gain

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12 The Consequences of Vibrations in Machining

Authors: Boughedaoui Rachid, Belaidi Idir, Ouali Mohamed

Abstract:

The formatting by removal of material remains an indispensable means for obtaining different forms of pieces. The objective of this work is to study the influence of parameters of the vibratory regime of the system PTM 'Piece-Tool-Machine, in the case of the machining of the thin pieces on the surface finish. As a first step, an analytical study of essential dynamic models 2D slice will be presented. The stability lobes will be thus obtained. In a second step, a characterization of PTM system will be realized. This system will be instrumented with accelerometric sensors but also a laser vibrometer so as to have the information closer to the cutting area. Dynamometers three components will be used for the analysis of cutting forces. Surface states will be measured and the condition of the cutting edge will be visualized thanks to a binocular microscope coupled to a data acquisition system. This information will allow quantifying the influence of chatter on the dimensional quality of the parts. From lobes stabilities previously determined experimental validation allow for the development a method for detecting of the phenomenon of chatter and so an approach will be proposed.

Keywords: chatter, dynamic, milling, lobe stability

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11 Quantitative Structure-Activity Relationship Modeling of Detoxication Properties of Some 1,2-Dithiole-3-Thione Derivatives

Authors: Nadjib Melkemi, Salah Belaidi

Abstract:

Quantitative Structure-Activity Relationship (QSAR) studies have been performed on nineteen molecules of 1,2-dithiole-3-thione analogues. The compounds used are the potent inducers of enzymes involved in the maintenance of reduced glutathione pools as well as phase-2 enzymes important to electrophile detoxication. A multiple linear regression (MLR) procedure was used to design the relationships between molecular descriptor and detoxication properties of the 1,2-dithiole-3-thione derivatives. The predictivity of the model was estimated by cross-validation with the leave-one-out method. Our results suggest a QSAR model based of the following descriptors: qS2, qC3, qC5, qS6, DM, Pol, log P, MV, SAG, HE and EHOMO for the specific activity of quinone reductase; qS1, qS2, qC3, qC4, qC5, qS6, DM, Pol, logP, MV, SAG, HE and EHOMO for the production of growth hormone. To confirm the predictive power of the models, an external set of molecules was used. High correlation between experimental and predicted activity values was observed, indicating the validation and the good quality of the derived QSAR models.

Keywords: QSAR, quinone reductase activity, production of growth hormone, MLR

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10 Modeling of Transformer Winding for Transients: Frequency-Dependent Proximity and Skin Analysis

Authors: Yazid Alkraimeen

Abstract:

Precise prediction of dielectric stresses and high voltages of power transformers require the accurate calculation of frequency-dependent parameters. A lack of accuracy can result in severe damages to transformer windings. Transient conditions is stuided by digital computers, which require the implementation of accurate models. This paper analyzes the computation of frequency-dependent skin and proximity losses included in the transformer winding model, using analytical equations and Finite Element Method (FEM). A modified formula to calculate the proximity and the skin losses is presented. The results of the frequency-dependent parameter calculations are verified using the Finite Element Method. The time-domain transient voltages are obtained using Numerical Inverse Laplace Transform. The results show that the classical formula for proximity losses is overestimating the transient voltages when compared with the results obtained from the modified method on a simple transformer geometry.

Keywords: fast front transients, proximity losses, transformer winding modeling, skin losses

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9 Multisymplectic Geometry and Noether Symmetries for the Field Theories and the Relativistic Mechanics

Authors: H. Loumi-Fergane, A. Belaidi

Abstract:

The problem of symmetries in field theory has been analyzed using geometric frameworks, such as the multisymplectic models by using in particular the multivector field formalism. In this paper, we expand the vector fields associated to infinitesimal symmetries which give rise to invariant quantities as Noether currents for classical field theories and relativistic mechanic using the multisymplectic geometry where the Poincaré-Cartan form has thus been greatly simplified using the Second Order Partial Differential Equation (SOPDE) for multi-vector fields verifying Euler equations. These symmetries have been classified naturally according to the construction of the fiber bundle used.  In this work, unlike other works using the analytical method, our geometric model has allowed us firstly to distinguish the angular moments of the gauge field obtained during different transformations while these moments are gathered in a single expression and are obtained during a rotation in the Minkowsky space. Secondly, no conditions are imposed on the Lagrangian of the mechanics with respect to its dependence in time and in qi, the currents obtained naturally from the transformations are respectively the energy and the momentum of the system.

Keywords: conservation laws, field theories, multisymplectic geometry, relativistic mechanics

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8 The Effect of Supplementary Cementitious Materials on Fresh and Hardened Properties of Self-Compacting Concretes

Authors: Akram Salah Eddine Belaidi, Said Kenai, El-Hadj Kadri, Benchaâ Benabed, Hamza Soualhi

Abstract:

Self-compacting concrete (SCC) was developed in the middle of the 1980’s in Japan. SCC flows alone under its dead weight and consolidates itself without any entry of additional compaction energy and without segregation. As an integral part of a SCC, self-compacting mortars (SCM) may serve as a basis for the mix design of concrete since the measurement of the rheological properties of SCCs. This paper discusses the effect of using natural pozzolana (PZ) and marble powder (MP) in two alternative systems ratios PZ/MP = 1 and 1/3 of the performance of the SCC. A total of 11 SCC’s were prepared having a constant water-binder (w/b) ratio of 0.40 and total cementitious materials content of 475 kg/m3. Then, the fresh properties of the mortars were tested for mini-slump flow diameter and mini-V-funnel flow time for SCMs and Slumps flow test, L-Box height ratio, V-Funnel flow time and sieve stability for SCC. Moreover, the development in the compressive strength was determined at 3, 7, 28, 56, and 90 days. Test results have shown that using of ternary blends improved the fresh properties of the mixtures. The compressive strength of SCC at 90 days with 30% of PZ and MP was similar to those of ordinary concrete use in situ.

Keywords: self-compacting mortar, self-compacting concrete, natural pozzolana, marble powder, rheology, compressive strength

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7 Studies on Induction of Cytotoxicity Through Apoptosis In Ovarian Cancer Cell Line (CAOV-3) by Chloroform Extract of Artocarpus Kemando Miq

Authors: Noor Shafifiyaz Mohd Yazid, Najihah Mohd Hashim, Hapipah Mohd Ali, Syam Mohan, Rosea Go

Abstract:

Artocarpus kemando is a plant species from Moraceae family. This plant is used as household utensil by the local and the fruits are edible. The plants’ bark was used for the extraction process and yielded the chloroform crude extract which was used to screen for anticancer potential. The cytotoxic effect of the extract on CAOV-3 and WRL 68 cell lines were determined using 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide or MTT assays. Qualitative AO/PI assay was performed to confirm the apoptosis and necrosis process. Meanwhile, the measurement of cell loss, nuclear morphology, DNA content, cell membrane permeability, mitochondrial membrane potential changes and cytochrome c release from mitochondria were detected through cytotoxicity 3 assay. In MTT assay, A. kemando inhibited 50% growth of CAOV-3 cells at 27.9 ± 0:03, 20.1± 0:03, 18.21± 0:04 µg/mL after 24, 48 and 72 hour, respectively. The morphology changes can be seen on CAOV-3 with a production of cell membrane blebbing, cromatin condensation and apoptotic bodies. Evaluation of cytotoxicity 3 on CAOV-3 cells after treated with extract resulting loss of mitochondrial membrane potential and release of cytochrome c from mitochondria. The results demonstrated A. kemando has potentially anticancer agent, particularly on human ovarian cancer.

Keywords: anticancer, Artocarpus kemando, ovarian cancer, cytotoxicity

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6 Applying Element Free Galerkin Method on Beam and Plate

Authors: Mahdad M’hamed, Belaidi Idir

Abstract:

This paper develops a meshless approach, called Element Free Galerkin (EFG) method, which is based on the weak form Moving Least Squares (MLS) of the partial differential governing equations and employs the interpolation to construct the meshless shape functions. The variation weak form is used in the EFG where the trial and test functions are approximated bye the MLS approximation. Since the shape functions constructed by this discretization have the weight function property based on the randomly distributed points, the essential boundary conditions can be implemented easily. The local weak form of the partial differential governing equations is obtained by the weighted residual method within the simple local quadrature domain. The spline function with high continuity is used as the weight function. The presently developed EFG method is a truly meshless method, as it does not require the mesh, either for the construction of the shape functions, or for the integration of the local weak form. Several numerical examples of two-dimensional static structural analysis are presented to illustrate the performance of the present EFG method. They show that the EFG method is highly efficient for the implementation and highly accurate for the computation. The present method is used to analyze the static deflection of beams and plate hole

Keywords: numerical computation, element-free Galerkin (EFG), moving least squares (MLS), meshless methods

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5 The Influence of Knowledge Spillovers on High-Impact Firm Growth: A Comparison of Indigenous and Foreign Firms

Authors: Yazid Abdullahi Abubakar, Jay Mitra

Abstract:

This paper is concerned with entrepreneurial high-impact firms, which are firms that generate ‘both’ disproportionate levels of employment and sales growth, and have high levels of innovative activity. It investigates differences in factors influencing high-impact growth between indigenous and foreign firms. The study is based on an analysis of data from United Kingdom (UK) Innovation Scoreboard on 865 firms, which were divided into high-impact firms (those achieving positive growth in both sales and employment) and low-impact firms (negative or no growth in sales or employment); in order to identifying the critical differences in regional, sectorial and size related factors that facilitate knowledge spillovers and high-impact growth between indigenous and foreign firms. The findings suggest that: 1) Firms’ access to regional knowledge spillovers (from businesses and higher education institutions) is more significantly associated with high-impact growth of UK firms in comparison to foreign firms, 2) Because high-tech sectors have greater use of knowledge spillovers (compared to low-tech sectors), high-tech sectors are more associated with high-impact growth, but the relationship is stronger for UK firms compared to foreign firms, 3) Because small firms have greater need for knowledge spillovers (relative to large firms), there is a negative relationship between firm size and high-impact growth, but the negative relationship is greater for UK firms in comparison to foreign firms.

Keywords: entrepreneurship, high-growth, indigenous firms, foreign firms, small firms, large firms

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4 Study on the Key Stakeholders' Perception and Establishment of Sustainability Goals in the Green Building Projects: The Case of Malaysia

Authors: Nor Kalsum M. Isa, Mohd Yazid M. Yunos, Anuar Alias, Mazdi Marzuki, Kamarul Ismail, Mohd H. Ibrahim

Abstract:

Green building is an emerging concept with the ultimate target to achieve sustainable development by integrating sustainability goals and principles into project development. Basically, a green building is a building that is designed, constructed and operated to boost environmental, economic, health and productivity performance over conventional buildings. The buildings have been proven to be successful in contributing towards sustainability and project success. The purpose of this study was to determine the benefits of sustainability application in building projects, looking towards project success from the perspective of Malaysian key project stakeholders. The study also aimed to explore the establishment of sustainability goals in the green building projects in Malaysia. The Triple Bottom Line (TBL) Concept of Sustainability was used as the foundation theoretical framework. Surveys, interviews and multiple case study methods were employed. A sample of 188 Malaysian building project stakeholders was selected for questionnaire surveys, and 15 stakeholders from three award-winning green building projects in Malaysia were involved in the interviews. The study found that the majority of the respondents were less aware that the sustainability integration in the building project can significantly affect cost reduction, schedule effectiveness and stakeholders’ satisfaction with the performance of buildings as at the same level as the quality performance. Of the four sustainability goals, the environmental aspect was given more priority than others in the development of the green building projects.

Keywords: green building, sustainability, project stakeholders, Malaysia

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3 Validity and Reliability of a Questionaire for Measuring Behaviour Change of Low Performance Employee

Authors: Hazaila Binti Hassan, Abu Yazid Bin Abu Bakar, Salleh Amat

Abstract:

This study is to get the validity and reliability of the questionnaire for behaviour change on low-performing officers. This study aimed to develop and evaluate the behaviour of low performing officers. There are 75 items in this questionnaire which involves 5 subscales, which are the 5 dimensions intended to be studied: 1st emotional stability, 2nd psycho-spiritual enhancement, 3rd social skills development, 4th cognitive and rationality improvement and 5th behavioural alignment and adjustment. There are 2 processes in this research whereby to check the validity and reliability. Both use quantitative methods. Validity content testing has been conducted to validate the behavioural change questionnaire of the low performing officers. For the face validity, 4 people are involved, two are psychologists who carried out the program and the other two are officers of the same rank, i.e. supporting officers. They are involved in correction of sentences, languages, and grammar as well as the sentence structures so that it tallies with the purpose of studies. The questionnaire underwent content validity by the experts. Five experts are appointed to attend this session, 3 are directly involved in the construction of this questionnaire and 2 others are experts from the university with a background in questionnaire development. The result shows that the content validity obtained a high coefficient of 0.745 with a minimum and maximum value of more than 0.60 which satisfies the characteristic of Content Value Ratio. The Cronbach’s alpha result is 0.867. The highest scores are the behavioural alignment and adjustment sub-scale recorded the highest value, followed by social skills development sub-scale, cognitive and rational improvements sub-scale, psycho-spiritual enhancement sub-scale, and lastly emotional stability. Therefore, both of validity and reliability result were accepted that this questionnaire is valid and reliable can be used in the study of behaviour changes of low performing officers in the civil service.

Keywords: content validity, reliability, five dimension, low-performing officers, questionnaire

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2 Cannabis Sativa L as Natural Source of Promising Anti-Alzheimer Drug Candidates: A Comprehensive Computational Approach Including Molecular Docking, Molecular Dynamics, Admet and MM-PBSA Studies

Authors: Hassan Nour, Nouh Mounadi, Oussama Abchir, Belaidi Salah, Samir Chtita

Abstract:

Cholinesterase enzymes are biological catalysts essential for the transformation of acetylcholine, which is a neurotransmitter implicated in memory and learning, into acetic acid and choline, altering the neurotransmission process in Alzheimer’s disease patients. Therefore, inhibition of cholinesterase enzymes is a relevant strategy for the symptomatic treatment of Alzheimer’s disease. The current investigation aims to explore potential Cholinesterase (ChE) inhibitors through a comprehensive computational approach. Forty-nine phytoconstituents extracted from Cannabis sativa L were in-silico screened using molecular docking, pharmacokinetic and toxicological analysis to evaluate their possible inhibitory effect towards the cholinesterase enzymes. Two phytoconstituents belonging to cannabinoid derivatives were revealed to be promising candidates for Alzheimer therapy by acting as cholinesterase inhibitors. They have exhibited high binding affinities towards the cholinesterase enzymes and showed their ability to interact with key residues involved in cholinesterase enzymatic activity. In addition, they presented good ADMET profiles allowing them to be promising oral drug candidates. Furthermore, molecular dynamics (MD) simulations were executed to explore their interactions stability under mimetic biological conditions and thus support our findings. To corroborate the docking results, the binding free energy corresponding to the more stable ligand-ChE complexes was re-estimated by applying the MM-PBSA method. MD and MM-PBSA studies affirmed that the ligand-ChE recognition is spontaneous reaction leading to stable complexes. The conducted investigations have led to great findings that would strongly guide the pharmaceutical industries towards the rational development of potent anti-Alzheimer agents.

Keywords: alzheimer’s disease, molecular docking, cannabis sativa l, cholinesterase inhibitors

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1 Cannabis Sativa L as Natural Source of Promising Anti-Alzheimer Drug Candidates: A Comprehensive Computational Approach Including Molecular Docking, Molecular Dynamics, ADMET and MM-PBSA Studies

Authors: Hassan Nour, Nouh Mounadi, Oussama Abchir, Belaidi Salah, Samir Chtita

Abstract:

Cholinesterase enzymes are biological catalysts essential for the transformation of acetylcholine, which is a neurotransmitter implicated in memory and learning, into acetic acid and choline, altering the neurotransmission process in Alzheimer’s disease patients. Therefore, inhibition of cholinesterase enzymes is a relevant strategy for the symptomatic treatment of Alzheimer’s disease. The current investigation aims to explore potential cholinesterase (ChE) inhibitors through a comprehensive computational approach. Forty-nine phytoconstituents extracted from Cannabis sativa L. were in-silico screened using molecular docking and pharmacokinetic and toxicological analysis to evaluate their possible inhibitory effect on the cholinesterase enzymes. Two phytoconstituents belonging to cannabinoid derivatives were revealed to be promising candidates for Alzheimer's therapy by acting as cholinesterase inhibitors. They have exhibited high binding affinities towards the cholinesterase enzymes and showed their ability to interact with key residues involved in cholinesterase enzymatic activity. In addition, they presented good ADMET profiles allowing them to be promising oral drug candidates. Furthermore, molecular dynamics (MD) simulations were executed to explore their interaction stability under mimetic biological conditions and thus support our findings. To corroborate the docking results, the binding free energy corresponding to the more stable ligand-ChE complexes was re-estimated by applying the MM-PBSA method. MD and MM-PBSA studies affirmed that the ligand-ChE recognition is a spontaneous reaction leading to stable complexes. The conducted investigations have led to great findings that would strongly guide the pharmaceutical industries toward the rational development of potent anti-Alzheimer agents.

Keywords: Alzheimer’s disease, molecular docking, Cannabis sativa L., cholinesterase inhibitors, molecular dynamics, ADMET, MM-PBSA

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