Publications

2022
Heddar Y, Djebabra M, Saadi S. An exploratory study on the prevalence of workplace violence: the case of Algerian hospitals. Employee Relations: The International Journal [Internet]. 2022. Publisher's VersionAbstract

Purpose

Workplace violence is a universal phenomenon that is constantly increasing. In this regard, this study aims to investigate the prevalence of violence committed against Algerian health professionals.

Design/methodology/approach

A cross-sectional survey, based on an anonymous, self-administered questionnaire, was conducted in healthcare settings of eastern Algeria (where 144 respondents participated in this study). Besides, socio-demographic characteristics and data related to violence, including its prevalence, different forms, perpetrators, reporting and the way it is handled, were analyzed using descriptive and inferential statistics.

Findings

Half of the respondents were victims of violence. More specifically, 90.1% of them were verbally abused. Compared to physical violence, verbal violence was significantly perpetrated against women and young health professionals (p < 0.05). However, nurses and those with less than or equal to five years of work experience were the most vulnerable to both types of violence (p < 0.05). Moreover, the main perpetrators were the patients' relatives (70%) followed by the patients themselves (51.4%). In terms of risk treatment, aggressors were verbally warned (60%). For violence reporting, 31% of the respondents observe such a fact as not being important. Finally, 65.7% of the participants reported that their employers had provided them with security measures (guards).

Originality/value

This is the first study conducted in Algeria that examines the prevalence of violence and its relationship with socio-demographic characteristics. Authorities must react effectively to solve this problem by implementing preventive and anticipatory strategies.

Heddar Y, Djebabra M, Saadi S. An exploratory study on the prevalence of workplace violence: the case of Algerian hospitals. Employee Relations: The International Journal [Internet]. 2022. Publisher's VersionAbstract

Purpose

Workplace violence is a universal phenomenon that is constantly increasing. In this regard, this study aims to investigate the prevalence of violence committed against Algerian health professionals.

Design/methodology/approach

A cross-sectional survey, based on an anonymous, self-administered questionnaire, was conducted in healthcare settings of eastern Algeria (where 144 respondents participated in this study). Besides, socio-demographic characteristics and data related to violence, including its prevalence, different forms, perpetrators, reporting and the way it is handled, were analyzed using descriptive and inferential statistics.

Findings

Half of the respondents were victims of violence. More specifically, 90.1% of them were verbally abused. Compared to physical violence, verbal violence was significantly perpetrated against women and young health professionals (p < 0.05). However, nurses and those with less than or equal to five years of work experience were the most vulnerable to both types of violence (p < 0.05). Moreover, the main perpetrators were the patients' relatives (70%) followed by the patients themselves (51.4%). In terms of risk treatment, aggressors were verbally warned (60%). For violence reporting, 31% of the respondents observe such a fact as not being important. Finally, 65.7% of the participants reported that their employers had provided them with security measures (guards).

Originality/value

This is the first study conducted in Algeria that examines the prevalence of violence and its relationship with socio-demographic characteristics. Authorities must react effectively to solve this problem by implementing preventive and anticipatory strategies.

Heddar Y, Djebabra M, Saadi S. An exploratory study on the prevalence of workplace violence: the case of Algerian hospitals. Employee Relations: The International Journal [Internet]. 2022. Publisher's VersionAbstract

Purpose

Workplace violence is a universal phenomenon that is constantly increasing. In this regard, this study aims to investigate the prevalence of violence committed against Algerian health professionals.

Design/methodology/approach

A cross-sectional survey, based on an anonymous, self-administered questionnaire, was conducted in healthcare settings of eastern Algeria (where 144 respondents participated in this study). Besides, socio-demographic characteristics and data related to violence, including its prevalence, different forms, perpetrators, reporting and the way it is handled, were analyzed using descriptive and inferential statistics.

Findings

Half of the respondents were victims of violence. More specifically, 90.1% of them were verbally abused. Compared to physical violence, verbal violence was significantly perpetrated against women and young health professionals (p < 0.05). However, nurses and those with less than or equal to five years of work experience were the most vulnerable to both types of violence (p < 0.05). Moreover, the main perpetrators were the patients' relatives (70%) followed by the patients themselves (51.4%). In terms of risk treatment, aggressors were verbally warned (60%). For violence reporting, 31% of the respondents observe such a fact as not being important. Finally, 65.7% of the participants reported that their employers had provided them with security measures (guards).

Originality/value

This is the first study conducted in Algeria that examines the prevalence of violence and its relationship with socio-demographic characteristics. Authorities must react effectively to solve this problem by implementing preventive and anticipatory strategies.

Bensmaine O, Nait-Said R, Zidani F. Failure Diagnostic of Emergency Shutdown Valve (ESDV) Based on Fault-Symptom Tree and Fuzzy Inference System: A Case Study. Journal of Failure Analysis and Prevention [Internet]. 2022;22 :785–800. Publisher's VersionAbstract

The Emergency Shutdown System (ESD) is a type of Safety Instrumented Systems (SIS) used to shut down the system in the event of anomalous conditions, it consists of sensors, logic solvers, and final elements. Reliability databases such as OREDA (Offshore and Onshore Reliability Data) and expert judgment indicate that Emergency Shutdown Valve (ESDV) failures are the most common cause of the unavailability of ESDs. Therefore, proper diagnostic is essential to prevent the failure risks of these valves. ESDV problems are of a different nature and difficult to treat with mathematical models because of their non-linear behavior, the imprecision of information, and the appearance of many failure modes that arise from many failure causes. Therefore, failure diagnostic mechanism based on heuristic knowledge of ESDV parameters must be established. In this paper, the problem of diagnosing ESDV failures is addressed based on the fault-symptom tree model and the Multiple Input-Multiple Output (MIMO) fuzzy inference system. The latter is built on a set of linguistic rules “if-then” provided by the fault-symptom tree model. the proposed approach was applied and verified on an ESDV subsystem in the petrochemical industry.

Bensmaine O, Nait-Said R, Zidani F. Failure Diagnostic of Emergency Shutdown Valve (ESDV) Based on Fault-Symptom Tree and Fuzzy Inference System: A Case Study. Journal of Failure Analysis and Prevention [Internet]. 2022;22 :785–800. Publisher's VersionAbstract

The Emergency Shutdown System (ESD) is a type of Safety Instrumented Systems (SIS) used to shut down the system in the event of anomalous conditions, it consists of sensors, logic solvers, and final elements. Reliability databases such as OREDA (Offshore and Onshore Reliability Data) and expert judgment indicate that Emergency Shutdown Valve (ESDV) failures are the most common cause of the unavailability of ESDs. Therefore, proper diagnostic is essential to prevent the failure risks of these valves. ESDV problems are of a different nature and difficult to treat with mathematical models because of their non-linear behavior, the imprecision of information, and the appearance of many failure modes that arise from many failure causes. Therefore, failure diagnostic mechanism based on heuristic knowledge of ESDV parameters must be established. In this paper, the problem of diagnosing ESDV failures is addressed based on the fault-symptom tree model and the Multiple Input-Multiple Output (MIMO) fuzzy inference system. The latter is built on a set of linguistic rules “if-then” provided by the fault-symptom tree model. the proposed approach was applied and verified on an ESDV subsystem in the petrochemical industry.

Bensmaine O, Nait-Said R, Zidani F. Failure Diagnostic of Emergency Shutdown Valve (ESDV) Based on Fault-Symptom Tree and Fuzzy Inference System: A Case Study. Journal of Failure Analysis and Prevention [Internet]. 2022;22 :785–800. Publisher's VersionAbstract

The Emergency Shutdown System (ESD) is a type of Safety Instrumented Systems (SIS) used to shut down the system in the event of anomalous conditions, it consists of sensors, logic solvers, and final elements. Reliability databases such as OREDA (Offshore and Onshore Reliability Data) and expert judgment indicate that Emergency Shutdown Valve (ESDV) failures are the most common cause of the unavailability of ESDs. Therefore, proper diagnostic is essential to prevent the failure risks of these valves. ESDV problems are of a different nature and difficult to treat with mathematical models because of their non-linear behavior, the imprecision of information, and the appearance of many failure modes that arise from many failure causes. Therefore, failure diagnostic mechanism based on heuristic knowledge of ESDV parameters must be established. In this paper, the problem of diagnosing ESDV failures is addressed based on the fault-symptom tree model and the Multiple Input-Multiple Output (MIMO) fuzzy inference system. The latter is built on a set of linguistic rules “if-then” provided by the fault-symptom tree model. the proposed approach was applied and verified on an ESDV subsystem in the petrochemical industry.

Zhan YL, Kaddouri W, Kanit T, Jiang Q, Liu L, Imad A. From unit inclusion cell to large Representative Volume Element: Comparison of effective elastic properties. European Journal of Mechanics-A/Solids [Internet]. 2022;92 :104490. Publisher's VersionAbstract

The concept of equivalent morphology has received much consideration in recent decades. The importance of this concept is reflected in the fact that an inclusion of any morphology can be replaced by a circular one in simulation. If this concept is confirmed, it will facilitate the modeling and simulation of complex configuration microstructures.

To decide on this concept, an in–depth study is carried out in this work, trying to answer it in a clear and definitive way by trying to identify all the possible situations. For this the two types of composites, namely, periodic interpreted by an elementary cell and random interpreted by a Representative Volume Element (RVE) with 200 inclusions are considered. To be sure that the isotropy is provided by the RVE of the periodic microstructure, two types of elementary cells were treated: one circular and the other square. In order to cover all possible situations, the inclusion of the elementary cell is considered with several situations, centered position with different orientations at constant and random steps, random position with orientation at constant steps and random position and orientation at random steps. For each situation, the effective property is determined by the average of 20 cases are processed for elementary cells, while for the large RVE, the properties are obtained by a unit realization. To take into account the effect of contrast, two situations are considered, namely, rigid inclusion case and rigid matrix case. Several results are obtained and given in the conclusion.

Zhan YL, Kaddouri W, Kanit T, Jiang Q, Liu L, Imad A. From unit inclusion cell to large Representative Volume Element: Comparison of effective elastic properties. European Journal of Mechanics-A/Solids [Internet]. 2022;92 :104490. Publisher's VersionAbstract

The concept of equivalent morphology has received much consideration in recent decades. The importance of this concept is reflected in the fact that an inclusion of any morphology can be replaced by a circular one in simulation. If this concept is confirmed, it will facilitate the modeling and simulation of complex configuration microstructures.

To decide on this concept, an in–depth study is carried out in this work, trying to answer it in a clear and definitive way by trying to identify all the possible situations. For this the two types of composites, namely, periodic interpreted by an elementary cell and random interpreted by a Representative Volume Element (RVE) with 200 inclusions are considered. To be sure that the isotropy is provided by the RVE of the periodic microstructure, two types of elementary cells were treated: one circular and the other square. In order to cover all possible situations, the inclusion of the elementary cell is considered with several situations, centered position with different orientations at constant and random steps, random position with orientation at constant steps and random position and orientation at random steps. For each situation, the effective property is determined by the average of 20 cases are processed for elementary cells, while for the large RVE, the properties are obtained by a unit realization. To take into account the effect of contrast, two situations are considered, namely, rigid inclusion case and rigid matrix case. Several results are obtained and given in the conclusion.

Zhan YL, Kaddouri W, Kanit T, Jiang Q, Liu L, Imad A. From unit inclusion cell to large Representative Volume Element: Comparison of effective elastic properties. European Journal of Mechanics-A/Solids [Internet]. 2022;92 :104490. Publisher's VersionAbstract

The concept of equivalent morphology has received much consideration in recent decades. The importance of this concept is reflected in the fact that an inclusion of any morphology can be replaced by a circular one in simulation. If this concept is confirmed, it will facilitate the modeling and simulation of complex configuration microstructures.

To decide on this concept, an in–depth study is carried out in this work, trying to answer it in a clear and definitive way by trying to identify all the possible situations. For this the two types of composites, namely, periodic interpreted by an elementary cell and random interpreted by a Representative Volume Element (RVE) with 200 inclusions are considered. To be sure that the isotropy is provided by the RVE of the periodic microstructure, two types of elementary cells were treated: one circular and the other square. In order to cover all possible situations, the inclusion of the elementary cell is considered with several situations, centered position with different orientations at constant and random steps, random position with orientation at constant steps and random position and orientation at random steps. For each situation, the effective property is determined by the average of 20 cases are processed for elementary cells, while for the large RVE, the properties are obtained by a unit realization. To take into account the effect of contrast, two situations are considered, namely, rigid inclusion case and rigid matrix case. Several results are obtained and given in the conclusion.

Zhan YL, Kaddouri W, Kanit T, Jiang Q, Liu L, Imad A. From unit inclusion cell to large Representative Volume Element: Comparison of effective elastic properties. European Journal of Mechanics-A/Solids [Internet]. 2022;92 :104490. Publisher's VersionAbstract

The concept of equivalent morphology has received much consideration in recent decades. The importance of this concept is reflected in the fact that an inclusion of any morphology can be replaced by a circular one in simulation. If this concept is confirmed, it will facilitate the modeling and simulation of complex configuration microstructures.

To decide on this concept, an in–depth study is carried out in this work, trying to answer it in a clear and definitive way by trying to identify all the possible situations. For this the two types of composites, namely, periodic interpreted by an elementary cell and random interpreted by a Representative Volume Element (RVE) with 200 inclusions are considered. To be sure that the isotropy is provided by the RVE of the periodic microstructure, two types of elementary cells were treated: one circular and the other square. In order to cover all possible situations, the inclusion of the elementary cell is considered with several situations, centered position with different orientations at constant and random steps, random position with orientation at constant steps and random position and orientation at random steps. For each situation, the effective property is determined by the average of 20 cases are processed for elementary cells, while for the large RVE, the properties are obtained by a unit realization. To take into account the effect of contrast, two situations are considered, namely, rigid inclusion case and rigid matrix case. Several results are obtained and given in the conclusion.

Zhan YL, Kaddouri W, Kanit T, Jiang Q, Liu L, Imad A. From unit inclusion cell to large Representative Volume Element: Comparison of effective elastic properties. European Journal of Mechanics-A/Solids [Internet]. 2022;92 :104490. Publisher's VersionAbstract

The concept of equivalent morphology has received much consideration in recent decades. The importance of this concept is reflected in the fact that an inclusion of any morphology can be replaced by a circular one in simulation. If this concept is confirmed, it will facilitate the modeling and simulation of complex configuration microstructures.

To decide on this concept, an in–depth study is carried out in this work, trying to answer it in a clear and definitive way by trying to identify all the possible situations. For this the two types of composites, namely, periodic interpreted by an elementary cell and random interpreted by a Representative Volume Element (RVE) with 200 inclusions are considered. To be sure that the isotropy is provided by the RVE of the periodic microstructure, two types of elementary cells were treated: one circular and the other square. In order to cover all possible situations, the inclusion of the elementary cell is considered with several situations, centered position with different orientations at constant and random steps, random position with orientation at constant steps and random position and orientation at random steps. For each situation, the effective property is determined by the average of 20 cases are processed for elementary cells, while for the large RVE, the properties are obtained by a unit realization. To take into account the effect of contrast, two situations are considered, namely, rigid inclusion case and rigid matrix case. Several results are obtained and given in the conclusion.

Zhan YL, Kaddouri W, Kanit T, Jiang Q, Liu L, Imad A. From unit inclusion cell to large Representative Volume Element: Comparison of effective elastic properties. European Journal of Mechanics-A/Solids [Internet]. 2022;92 :104490. Publisher's VersionAbstract

The concept of equivalent morphology has received much consideration in recent decades. The importance of this concept is reflected in the fact that an inclusion of any morphology can be replaced by a circular one in simulation. If this concept is confirmed, it will facilitate the modeling and simulation of complex configuration microstructures.

To decide on this concept, an in–depth study is carried out in this work, trying to answer it in a clear and definitive way by trying to identify all the possible situations. For this the two types of composites, namely, periodic interpreted by an elementary cell and random interpreted by a Representative Volume Element (RVE) with 200 inclusions are considered. To be sure that the isotropy is provided by the RVE of the periodic microstructure, two types of elementary cells were treated: one circular and the other square. In order to cover all possible situations, the inclusion of the elementary cell is considered with several situations, centered position with different orientations at constant and random steps, random position with orientation at constant steps and random position and orientation at random steps. For each situation, the effective property is determined by the average of 20 cases are processed for elementary cells, while for the large RVE, the properties are obtained by a unit realization. To take into account the effect of contrast, two situations are considered, namely, rigid inclusion case and rigid matrix case. Several results are obtained and given in the conclusion.

Bensmaine M, Abdelhamid L, Khamari D. Impacts analysis and optimization of electric grid protection in presence of decentralized production. Electrical Engineering [Internet]. 2022 :1-9. Publisher's VersionAbstract

This study presents an idea inspired by an industrial site (Global Company of Lafargeholcim) which suffers from several protection problems. Firstly, the effects of the distributed generator (DG) on the protection of the radial grid in the event of a symmetric three-phase short circuit with several scenarios (varying in size and location of the DG) are presented. The study of these effects allows to observe problems on protection, especially, sensitivity and selectivity. Secondly, in order to have well-optimized protection, taking into account both the size and the location of a distributed generator in a radial grid, we propose an algorithm with a new formula. The effectiveness of the new idea can be demonstrated through simulation results.

Bensmaine M, Abdelhamid L, Khamari D. Impacts analysis and optimization of electric grid protection in presence of decentralized production. Electrical Engineering [Internet]. 2022 :1-9. Publisher's VersionAbstract

This study presents an idea inspired by an industrial site (Global Company of Lafargeholcim) which suffers from several protection problems. Firstly, the effects of the distributed generator (DG) on the protection of the radial grid in the event of a symmetric three-phase short circuit with several scenarios (varying in size and location of the DG) are presented. The study of these effects allows to observe problems on protection, especially, sensitivity and selectivity. Secondly, in order to have well-optimized protection, taking into account both the size and the location of a distributed generator in a radial grid, we propose an algorithm with a new formula. The effectiveness of the new idea can be demonstrated through simulation results.

Bensmaine M, Abdelhamid L, Khamari D. Impacts analysis and optimization of electric grid protection in presence of decentralized production. Electrical Engineering [Internet]. 2022 :1-9. Publisher's VersionAbstract

This study presents an idea inspired by an industrial site (Global Company of Lafargeholcim) which suffers from several protection problems. Firstly, the effects of the distributed generator (DG) on the protection of the radial grid in the event of a symmetric three-phase short circuit with several scenarios (varying in size and location of the DG) are presented. The study of these effects allows to observe problems on protection, especially, sensitivity and selectivity. Secondly, in order to have well-optimized protection, taking into account both the size and the location of a distributed generator in a radial grid, we propose an algorithm with a new formula. The effectiveness of the new idea can be demonstrated through simulation results.

Dassamiour S, Bensaad MS, Hambaba L, Melakhessou MA, Sami R, Al-Mushhin AAM, Aljahani AH, Al Masoudi LM. In Silico Investigation of Some Compounds from the N-Butanol Extract of Centaurea tougourensis Boiss. & Reut. Crystals [Internet]. 2022;12 (3) :355. Publisher's VersionAbstract

Bioinformatics as a newly emerging discipline is considered nowadays a reference to characterize the physicochemical and pharmacological properties of the actual biocompounds contained in plants, which has helped the pharmaceutical industry a lot in the drug development process. In this study, a bioinformatics approach known as in silico was performed to predict, for the first time, the physicochemical properties, ADMET profile, pharmacological capacities, cytotoxicity, and nervous system macromolecular targets, as well as the gene expression profiles, of four compounds recently identified from Centaurea tougourensis via the gas chromatography–mass spectrometry (GC–MS) approach. Thus, four compounds were tested from the n-butanol (n-BuOH) extract of this plant, named, respectively, Acridin-9-amine, 1,2,3,4-tetrahydro-5,7-dimethyl- (compound 1), 3-[2,3-Dihydro-2,2-dimethylbenzofuran-7-yl]-5-methoxy-1,3,4-oxadiazol-2(3H)-one (compound 2), 9,9-Dimethoxybicyclo[3.3.1]nona-2,4-dione (compound 3), and 3-[3-Bromophenyl]-7-chloro-3,4-dihydro-10-hydroxy-1,9(2H,10H)-acridinedione (compound 4). The insilico investigation revealed that the four tested compounds could be a good candidate to regulate the expression of key genes and may also exert significant cytotoxic effects against several tumor celllines. In addition, these compounds could also be effective in the treatment of some diseases related to diabetes, skin pathologies, cardiovascular, and central nervous system disorders. The bioactive compounds of plant remain the best alternative in the context of the drug discovery and development process.

Dassamiour S, Bensaad MS, Hambaba L, Melakhessou MA, Sami R, Al-Mushhin AAM, Aljahani AH, Al Masoudi LM. In Silico Investigation of Some Compounds from the N-Butanol Extract of Centaurea tougourensis Boiss. & Reut. Crystals [Internet]. 2022;12 (3) :355. Publisher's VersionAbstract

Bioinformatics as a newly emerging discipline is considered nowadays a reference to characterize the physicochemical and pharmacological properties of the actual biocompounds contained in plants, which has helped the pharmaceutical industry a lot in the drug development process. In this study, a bioinformatics approach known as in silico was performed to predict, for the first time, the physicochemical properties, ADMET profile, pharmacological capacities, cytotoxicity, and nervous system macromolecular targets, as well as the gene expression profiles, of four compounds recently identified from Centaurea tougourensis via the gas chromatography–mass spectrometry (GC–MS) approach. Thus, four compounds were tested from the n-butanol (n-BuOH) extract of this plant, named, respectively, Acridin-9-amine, 1,2,3,4-tetrahydro-5,7-dimethyl- (compound 1), 3-[2,3-Dihydro-2,2-dimethylbenzofuran-7-yl]-5-methoxy-1,3,4-oxadiazol-2(3H)-one (compound 2), 9,9-Dimethoxybicyclo[3.3.1]nona-2,4-dione (compound 3), and 3-[3-Bromophenyl]-7-chloro-3,4-dihydro-10-hydroxy-1,9(2H,10H)-acridinedione (compound 4). The insilico investigation revealed that the four tested compounds could be a good candidate to regulate the expression of key genes and may also exert significant cytotoxic effects against several tumor celllines. In addition, these compounds could also be effective in the treatment of some diseases related to diabetes, skin pathologies, cardiovascular, and central nervous system disorders. The bioactive compounds of plant remain the best alternative in the context of the drug discovery and development process.

Dassamiour S, Bensaad MS, Hambaba L, Melakhessou MA, Sami R, Al-Mushhin AAM, Aljahani AH, Al Masoudi LM. In Silico Investigation of Some Compounds from the N-Butanol Extract of Centaurea tougourensis Boiss. & Reut. Crystals [Internet]. 2022;12 (3) :355. Publisher's VersionAbstract

Bioinformatics as a newly emerging discipline is considered nowadays a reference to characterize the physicochemical and pharmacological properties of the actual biocompounds contained in plants, which has helped the pharmaceutical industry a lot in the drug development process. In this study, a bioinformatics approach known as in silico was performed to predict, for the first time, the physicochemical properties, ADMET profile, pharmacological capacities, cytotoxicity, and nervous system macromolecular targets, as well as the gene expression profiles, of four compounds recently identified from Centaurea tougourensis via the gas chromatography–mass spectrometry (GC–MS) approach. Thus, four compounds were tested from the n-butanol (n-BuOH) extract of this plant, named, respectively, Acridin-9-amine, 1,2,3,4-tetrahydro-5,7-dimethyl- (compound 1), 3-[2,3-Dihydro-2,2-dimethylbenzofuran-7-yl]-5-methoxy-1,3,4-oxadiazol-2(3H)-one (compound 2), 9,9-Dimethoxybicyclo[3.3.1]nona-2,4-dione (compound 3), and 3-[3-Bromophenyl]-7-chloro-3,4-dihydro-10-hydroxy-1,9(2H,10H)-acridinedione (compound 4). The insilico investigation revealed that the four tested compounds could be a good candidate to regulate the expression of key genes and may also exert significant cytotoxic effects against several tumor celllines. In addition, these compounds could also be effective in the treatment of some diseases related to diabetes, skin pathologies, cardiovascular, and central nervous system disorders. The bioactive compounds of plant remain the best alternative in the context of the drug discovery and development process.

Dassamiour S, Bensaad MS, Hambaba L, Melakhessou MA, Sami R, Al-Mushhin AAM, Aljahani AH, Al Masoudi LM. In Silico Investigation of Some Compounds from the N-Butanol Extract of Centaurea tougourensis Boiss. & Reut. Crystals [Internet]. 2022;12 (3) :355. Publisher's VersionAbstract

Bioinformatics as a newly emerging discipline is considered nowadays a reference to characterize the physicochemical and pharmacological properties of the actual biocompounds contained in plants, which has helped the pharmaceutical industry a lot in the drug development process. In this study, a bioinformatics approach known as in silico was performed to predict, for the first time, the physicochemical properties, ADMET profile, pharmacological capacities, cytotoxicity, and nervous system macromolecular targets, as well as the gene expression profiles, of four compounds recently identified from Centaurea tougourensis via the gas chromatography–mass spectrometry (GC–MS) approach. Thus, four compounds were tested from the n-butanol (n-BuOH) extract of this plant, named, respectively, Acridin-9-amine, 1,2,3,4-tetrahydro-5,7-dimethyl- (compound 1), 3-[2,3-Dihydro-2,2-dimethylbenzofuran-7-yl]-5-methoxy-1,3,4-oxadiazol-2(3H)-one (compound 2), 9,9-Dimethoxybicyclo[3.3.1]nona-2,4-dione (compound 3), and 3-[3-Bromophenyl]-7-chloro-3,4-dihydro-10-hydroxy-1,9(2H,10H)-acridinedione (compound 4). The insilico investigation revealed that the four tested compounds could be a good candidate to regulate the expression of key genes and may also exert significant cytotoxic effects against several tumor celllines. In addition, these compounds could also be effective in the treatment of some diseases related to diabetes, skin pathologies, cardiovascular, and central nervous system disorders. The bioactive compounds of plant remain the best alternative in the context of the drug discovery and development process.

Dassamiour S, Bensaad MS, Hambaba L, Melakhessou MA, Sami R, Al-Mushhin AAM, Aljahani AH, Al Masoudi LM. In Silico Investigation of Some Compounds from the N-Butanol Extract of Centaurea tougourensis Boiss. & Reut. Crystals [Internet]. 2022;12 (3) :355. Publisher's VersionAbstract

Bioinformatics as a newly emerging discipline is considered nowadays a reference to characterize the physicochemical and pharmacological properties of the actual biocompounds contained in plants, which has helped the pharmaceutical industry a lot in the drug development process. In this study, a bioinformatics approach known as in silico was performed to predict, for the first time, the physicochemical properties, ADMET profile, pharmacological capacities, cytotoxicity, and nervous system macromolecular targets, as well as the gene expression profiles, of four compounds recently identified from Centaurea tougourensis via the gas chromatography–mass spectrometry (GC–MS) approach. Thus, four compounds were tested from the n-butanol (n-BuOH) extract of this plant, named, respectively, Acridin-9-amine, 1,2,3,4-tetrahydro-5,7-dimethyl- (compound 1), 3-[2,3-Dihydro-2,2-dimethylbenzofuran-7-yl]-5-methoxy-1,3,4-oxadiazol-2(3H)-one (compound 2), 9,9-Dimethoxybicyclo[3.3.1]nona-2,4-dione (compound 3), and 3-[3-Bromophenyl]-7-chloro-3,4-dihydro-10-hydroxy-1,9(2H,10H)-acridinedione (compound 4). The insilico investigation revealed that the four tested compounds could be a good candidate to regulate the expression of key genes and may also exert significant cytotoxic effects against several tumor celllines. In addition, these compounds could also be effective in the treatment of some diseases related to diabetes, skin pathologies, cardiovascular, and central nervous system disorders. The bioactive compounds of plant remain the best alternative in the context of the drug discovery and development process.

Pages