Research Title: Cannabinoid ligands, receptors and enzymes: Pharmacological tools and therapeutic potential

Author: Wafa Moh'd Khair Hourani, Published Year: 2018

Brain and Neuroscience Advances, Volume 2: 1–8

Faculty: Pharmacy

Abstract: Endocannabinoids have been identified to have roles in numerous physiological and pathological processes. Largely due to the association of the effects of Cannabis administration on mental states, the CNS impact of the endocannabinoid system has been the most intensively studied. Here, we provide a brief summary of the endocannabinoid system, comprising the receptors and the multiple endogenous lipid derivatives which activate them, as well as the enzymes which control the levels of these lipid derivatives. We identify pharmacological tools which may be used to interrogate the endocannabinoid system, as well as current and future options to exploit the system in the clinic.

Keywords: Cannabis, cannabinoids, the endocannabinoid system, anandamide, 2-arachidonoylglycerol

Research Title: A comparative study of Lane Change Assistance Protocols at Road Network

Author: Maram Bani Younes, Published Year: 2020

Faculty: Information Technology

Abstract: Driving over road networks is an everyday challenge that several research studies have been proposed to make it more safe and convenient. One of the main issues need to be efficiently and accurately handled is lane change scenarios. Drivers need to change their driving lane to take an exit on a road or to open the way for faster or emergency vehicle on that lane. Changing lane over highway road scenarios is a more serious challenge than changing it on downtown areas. This is due to the relatively high speed moving vehicles there. Vehicles in blind spots and wrong estimations of the distances between vehicles are the main two challenges that en-face drivers while changing their driving lanes. These cases may cause fatal accidents and lead to several damage consequences. This paper aims to investigate and compare the different previous proposed protocols that have been used to control safe lane changing for autonomous vehicles. Moreover, it reviews the intelligent driving assistance protocols that help drivers to safely change their lanes in several scenarios.

Keywords: Lang Change, Highway Road Scenario, Driving Assistance Protocol, Autonomous vehicle.

Research Title: The value of caring behavior and its impact on students' self‐efficacy: Perceptions of undergraduate nursing students

Author: Maha Mohammed Wahbi Atout, Published Year: 2020

Nursing Forum, 55

Faculty: Nursing

Abstract: Background Clinical instructors are the key mediators in helping students conquer clinical experiences by preparing them for clinical workplaces. The caring behavior of instructors plays an important role in the instructor‐student relationship.Objective: This study aimed to (a) assess the perception of nursing students of clinical instructors' caring behavior and (b) explore the correlation between their perception of instructors' caring behavior and their self‐efficacy.Design: A quantitative descriptive correlation design was adopted.Setting: The sample was collected from the faculty of nursing at a major governmental university for females in the Kingdom of Saudi Arabia.Participants: A sample of nursing students (N = 200) was recruited.Methods: The data were collected using the inventory for nursing students' perceptions of instructor caring (NSPIC) and general self‐efficacy (GSE) scale. Descriptive and inferential statistics, such as Pearson r correlation and regression analysis, were used.Results: The total mean of NSPIC was moderate to high (mean = 3.06, SD = 1.04). The level of GSE among students was high (mean = 3.45, SD = 0.849). NSPIC is significantly correlated with its GSE (r = .282). In addition, GSE turned out to be a major indicator of caring behavior, with P = .021 and R2 = 0.642.Conclusion: Caring relationships between clinical instructors and nursing students enable students to grow as caring professionals. Therefore, nursing programs must have highly qualified clinical instructors to teach and train students and be a good role model in the workplace.

Keywords: caring behavior, clinical instructor, nursing, self‐efficacy, students' perception

Research Title: Development and validation of RP-HPLC for related substance of pemetrexed disodium

Author: Balakumar Chandrasekarn, Published Year: 2012

International Journal of Pharmaceutical Sciences Review and Research , 15

Faculty: Pharmacy

Abstract: Simple and sensitive method for the quantification of related substance of pemetrexed disodium injection by RP-HPLC has been developed. Isocratic separation of pemetrexed disodium is carried out using a reversed-phase x-bridge column C18 (150 mm × 4.6 mm, 5 μm) with mobile phase consisting of acetonitrile and buffer (pH adjusted to 5 with orthophosphoric acid) in the ratio 15:85 (v/v) and quantified by UV detection at 230 nm. Analytical run time was 15 min. The assay exhibited good linear relationship with an accuracy and precision were over the concentration range of 0.1-10 μg/ml. This method can be used for routine analysis of related substances of pemetrexed disodium in injectables.

Keywords: HPLC, validation, related substances, pemetrexed disodium

Research Title: Pharmaceutical compounds

Author: Balakumar Chandrasekarn, Published Year: 2018

Faculty: Pharmacy

Abstract: A compound having the general formula (I) or (II), in which R, Rl, R2 and R3 are as described herein, or a pharmaceutically acceptable salt thereof, is provided. An associated method for treating a mycobacterial infection is also provided.

Keywords: Pharmaceutical compounds

Research Title: Synthesis, anti-inflammatory evaluation and docking studies of some new fluorinated fused quinazolines

Author: Balakumar Chandrasekarn, Published Year: 2010

European Journal of Medicinal Chemistry , 45

Faculty: Pharmacy

Abstract: A series of novel 8/10-trifluoromethyl-substituted-imidazo[1,2-c] quinazolines have been synthesized and evaluated in vivo (rat paw edema) for their anti-inflammatory activity and in silico (docking studies) to recognize the hypothetical binding motif of the title compounds with the cyclooxygenase isoenzymes (COX-1 and COX-2) employing GOLD (CCDC, 4.0.1 version) software. The compounds, 9b and 10b, were found to have good anti-inflammatory activity [around 80% of the standard: indomethacin]. The binding mode of the title compounds has been proposed based on the docking studies.

Keywords: Fluorinated quinazolinesCyclooxygenaseAnti-inflammatory activityDocking studies

Research Title: A facile microwave-assisted synthesis of 8,9-cycloalkathieno[3,2-e] [1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-ones

Author: Balakumar Chandrasekarn, Published Year: 2011

Journal of Chemical Science, 123

Faculty: Pharmacy

Abstract: A new series of fused thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidinones was synthesized by condensation of ethyl-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophene-2-yl carbamate with aryl acid hydrazides in quantitative yields using a facile, one-pot procedure under microwave-assisted conditions.

Keywords: Microwave-irradiation; pyrimidinones; 1,2,4-triazole; aryl hydrazides; condensation.

Research Title: QSAR of adenosine receptor antagonists: Exploring physicochemical requirements for binding of pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine derivatives with human adenosine A(3) receptor subtype.

Author: Balakumar Chandrasekarn, Published Year: 2011

Bioorganic and Medicinal Chemistry Letters, 21

Faculty: Pharmacy

Abstract: Human adenosine A(3) receptor (A(3) AR) binding affinity of pyrazolotriazolopyrimidine derivatives (n=116) has been subjected to QSAR analyses using three-dimensional (shape, spatial, electronic, and molecular field) along with thermodynamic descriptors to explore the physicochemical requirements for the binding. QSAR models have been validated internally [using leave-one-out cross-validation method] and externally [using test set molecules] to ensure the predictive capacity of the models. The models suggest that shape of the substituent at N(8) position of the pyrazole ring should be optimum. Furthermore, lipophilic substituents having electronegative atoms at NH(2) group of C(5) position of the pyrimidine ring with distributed negative charge over the surface may enhance the binding affinity. Again, the carbamoylation of the NH(2) group at C(5) position of pyrimidine ring is an essential factor for binding with A(3) receptor. The QSAR models were used for the design and development of some novel thienopyrimidines which were predicted to have good affinity towards A(3) AR.

Keywords: QSAR Pyrazolotriazolopyrimidines Adenosine A3 receptor GFA G/PLS

Research Title: Design, microwave-assisted synthesis and in silico docking studies of new 4H-pyrimido[2,1-b]benzothiazole-2-arylamino-3-cyano-4-ones as possible adenosine A2B receptor antagonists.

Author: Balakumar Chandrasekarn, Published Year: 2012

Indian Journal of Chemistry, 51

Faculty: Pharmacy

Abstract: A series of new 4H-pyrimido[2,1-b]benzothiazole-2-arylamino-3-cyano-4-ones 6a-g have been designed and synthesized by the application of microwave-assisted organic synthesis (MAOS) technique. In silico docking studies have been carried out to gain an insight into the hypothetical binding motif of the title compounds using a homology model of A2B adenosine receptor employing GOLD (CCDC, 4.0.1 version) software. The binding modes are proposed on the basis of molecular docking studies.

Keywords: 4H-pyrimido[2,1-b]benzothiazole-4-one;Adenosine receptor antagonists;docking studies;Microwave-assisted organic synthesis;GOLD

Research Title: Molecular Modeling Evaluation of Non-Steroidal Aromatase Inhibitors

Author: Balakumar Chandrasekarn, Published Year: 2012

Chemical Biology and Drug Design, 79

Faculty: Pharmacy

Abstract: A recent discovery of aromatase crystal structure triggered the efforts to design novel aromatase inhibitors for breast cancer therapy. While correlating docking scores with inhibitory potencies of known ligands, feeble robustness of scoring functions toward prediction was observed. This prompted us to develop new prediction models using stepwise regression analysis based on consensus of different docking and their scoring methods (GOLD, LIGANDFIT, and GLIDE). Quantitative structure-activity relationships were developed between the aromatase inhibitory activity (pIC(50) ) of flavonoid derivatives (n=39) and docking scores and docking descriptors. QSAR models have been validated internally [using leave-one-out cross-validated r(2)(cv) (LOO-Q2))] and externally to ensure the predictive capacity of the models. Model 2 [M2] developed using consensus of docking scores of scoring functions viz. ASP, potential of mean force and DOCK Score (r(2)(cv)=0.850, r(2) = 0.870, r(2)(pred) = 0.633, RMSE = 0.363 μm, r(2)(m(test)) =0.831, r(2)(m(overall)) =0.832) was found to be better in predicting aromatase inhibitory potency (pIC(50) ) compared to the Model 1 [M1] based on docking descriptors (r(2)(cv)= 0.848, r(2) = 0.825, r(2)(pred) =0.788, RMSE=0.421μm, r(2)(m(test)) =0.808, r(2)(m(overall)) =0.821). It has been observed that the natural flavonoids and their derivatives were less potent compared to these scaffolds with imidazolylmethyl substitution owing to the interaction of nitrogen atom of the imidazole ring toward the heme (Fe(3+) ) of the aromatase. Results confirm the potential of our methodology for the design of new potent non-steroidal aromatase inhibitors.

Keywords: docking descriptors docking scores flavonoids molecular docking non‐steroidal aromatase inhibitors prediction models