Enhancing Flight Delay Prediction through Feature Engineering in Machine Learning Classifiers: A Real Time Data Streams Case Study

The process of creating and selecting features from raw data to enhance the accuracy of machine learning models is referred to as feature engineering. In the context of real-time data streams, feature engineering becomes particularly important because the data is constantly changing and the model must be able to adapt quickly. A case study of using feature engineering in a flight information system is described in this paper. We used feature engineering to improve the performance of machine learning classifiers for predicting flight delays and describe various techniques for extracting and constructing features from the raw data, including time-based features, trend-based features, and error-based features. Before applying these techniques, we applied feature pre-processing techniques, including the CTAO algorithm for feature pre-processing, followed by the SCSO (Sand cat swarm optimization) algorithm for feature extraction and the Enhanced harmony search for feature optimization. The resultant feature set contained the 9 most relevant features for deciding whether a flight would be delayed or not. Additionally, we evaluate the performance of various classifiers using these engineered features and contrast the results with those obtained using raw features. The results show that feature engineering significantly improves the performance of the classifiers and allows for more accurate prediction of flight delays in real-time

PROTECTIVE ROLE OF BERBERINE IN AMELIORATING DIABETIC COMPLICATIONS IN STREPTOZOTOCIN-HIGH FAT DIET MODEL IN EXPERIMENTAL ANIMALS

Objective: Diabetes mellitus is a serious, complex metabolic disorder and growing health threat disease in the world. Berberine, one of the main constituent in Rhizoma coptidis is widely used in the treatment of diabetes. Potential of berberine in the management of diabetic complications, namely diabetic nephropathy and cardiomyopathy, is however, not yet explored. The present study was, therefore, undertaken to explore the potential of berberine for the management of diabetic nephropathy and diabetic cardiomyopathy in high-fat diet (HFD) and low dose streptozotocin (STZ) induced diabetes in rats. Methods: Rats were fed a high-fat diet for 4 w followed by a single intraperitoneal dose of streptozotocin (35 mg/kg). Animals were divided in five groups. Berberine was given orally in two different dose levels (75 mg/kg and 150 mg/kg) for 28 d. Metformin (100 mg/kg) was used as a standard antidiabetic drug. At the end of the study, parameters evaluated includes glycemic profile, lipid profile, left ventricular indices, urinary protein, serum creatinine, blood urea nitrogen and cardiac antioxidants. Histopathology of kidney and pancreas was carried out. Results: Berberine treated groups showed a significant decrease in fasting blood glucose, glycosylated Hb, creatinine, blood urea nitrogen and urinary total proteins, whereas there was a significant improvement in serum insulin, liver glycogen, skeletal muscle glycogen and cardiac antioxidant enzymes. Conclusion: Present study indicated that berberine shows a protective role in diabetes-associated renal and cardiovascular complications

STABILITY INDICATING HPLC METHOD FOR SIMULTANEOUS DETERMINATION OF OFLOXACIN AND FLAVOXATE HYDROCHLORIDE

Objective: The objective of this study was to develop and validate a stability indicating reverse-phase HPLC method for simultaneous estimation of Ofloxacin and Flavoxate hydrochloride from their combination product.Methods: The proposed RP-HPLC method was developed using inertsil C18, 5 µm, 250 mm × 4.6 mm column. The mobile phase used was a mixture of methanol and water in the proportion of 50:50 (v/v) with apparent pH adjusted to 4.9, and UV detection at 274 nm using a PDA detector and Empower-2 software. The flow rate was 1.0 ml/min. Ofloxacin, Flavoxate hydrochloride and their combination drug product were exposed to thermal, photolytic, hydrolytic, and oxidative stress conditions, and the stressed samples were analysed by the proposed method.Results: With the optimized method, retention times of Ofloxacin and Flavoxate hydrochloride were found to be 4.3 and 2.98 respectively. Peak homogeneity data of Ofloxacin and Flavoxate hydrochloride peaks obtained using PDA detector, in the stressed sample chromatograms demonstrated the specificity of the method for their estimation in the presence of degradants. The described method was linear over a range of 10-60 µg/ml with regression coefficient of 0.9996 and 0.9998. The mean recoveries were 99.57% and 99.99% for Ofloxacin and Flavoxate hydrochloride, respectively.Conclusion: Stress testing, which covered acid, alkali, peroxide, photolytic and thermal degradation was performed to prove the specificity of the proposed method and degradation, was achieved. The developed method was validated according to ICH guidelines and was found to be simple, precise and accurate with the prescribed values.Â

Design, synthesis, and biological evaluation of 3-chloro-2-oxo-N-(arylcarbamoyl)-2H-1-benzopyran-6-sulfonamide derivatives as potential DPP-IV inhibitors

In present work, we aimed at preparing coumarin and sulfonamide containing moieties into a single candidate template i.e. 3-chloro-2-oxo-N-(arylcarbamoyl)-2H-1-benzopyran-6-sulfonamides for the purpose of synergistic activity as potent DPP-IV inhibitors. The designed derivatives were subjected for the calculations of Lipinski rule, Veber’s rule, ADME analysis, drug-likeness properties and molecular docking. The derivatives which successfully passed all the criteria were proceeded for wet lab synthesis and biological evaluation. From the initial screening through Lipinski rule, Veber’s rule, ADME calculations, and drug-likeness properties, molecules 1a, 1f, 1g, 1h, 1i, 1j, 1k, 1o, 1p, 1q, 1r, 1v, 1w, and 1x successfully passed all the filters and displayed most drug-likeness nature. Therefore only these molecules were subjected for molecular docking studies. From molecular docking results, we have selected 1f, 1g, 1i, 1j, and 1v for the wet lab synthesis and biological evaluation. The structures of all the synthesized compounds were confirmed by spectral analysis and were subjected for in vitro DPP-IV enzyme assay. Sitagliptin was used as standard for the assay and it displayed 0.018 µM IC50 value. Compound 1f, 1g, 1i, 1j, and 1v exhibited 15.55, 15.85, 13.95, 14.48, and 13.45 µM IC50 values respectively

Design, Synthesis, and Biological Evaluation of 3-chloro-2-oxo-N-(arylcarbamoyl)-2H-1-benzopyran-6-sulfonamide Derivatives as Potential DPP-IV Inhibitors

In present work, we aimed at preparing coumarin and sulfonamide containing moieties into a single candidate template i.e. 3-chloro-2-oxo-N-(arylcarbamoyl)-2H-1-benzopyran-6-sulfonamides for the purpose of synergistic activity as potent DPP-IV inhibitors. The designed derivatives were subjected for the calculations of Lipinski rule, Veber's rule, ADME analysis, drug-likeness properties and molecular docking. The derivatives which successfully passed all the criteria were proceeded for wet lab synthesis and biological evaluation. From the initial screening through Lipinski rule, Veber's rule, ADME calculations, and drug-likeness properties, molecules 1a, 1f, 1g, 1h, 1i, 1j, 1k, 1o, 1p, 1q, 1r, 1v, 1w, and 1x successfully passed all the filters and displayed most drug-likeness nature. Therefore only these molecules were subjected for molecular docking studies. From molecular docking results, we have selected 1f, 1g, 1i, 1j, and 1v for the wet lab synthesis and biological evaluation. The structures of all the synthesized compounds were confirmed by spectral analysis and were subjected for in vitro DPP-IV enzyme assay. Sitagliptin was used as standard for the assay and it displayed 0.018 µM IC50 value. Compound 1f, 1g, 1i, 1j, and 1v exhibited 15.55, 15.85, 13.95, 14.48, and 13.45 µM IC50 values respectively

Synthesis and antidiabetic evaluation of some novel compounds

849-854Aryloxypropanolmines have been reported to have β3-agonist activity. Agonists of β3-adrenergic receptors have been observed to simultaneously increase lipolysis, fat oxidation, energy expenditure and insulin action leading to the belief that this receptor might serve as an attractive target for the treatment of diabetes and obesity. Various aryloxypropanolamine derivatives have been synthesized starting with the substituted imines derived from 4-hydroxy benzaldehyde and substituted anilines. These imines have been converted to benzamide intermediates. The benzamide epoxide intermediates have been synthesized using epichlorhydrin. The title compounds 6a-j have been synthesized via ring opening of the epoxides. The synthesized compounds have been characterized using infrared (IR), nuclear magnetic resonance (NMR) and mass spectrometry. The synthesized compounds have been evaluated for antidiabetic activity on streptozotocin induced diabetic male Wistar rats. The synthesized aryloxypropanolamine derivative consisting of –OCH3 and t-butyl amine substituents show good activity as compared to the other synthesized compounds in the series. Glibenclamide has been taken as standard for measuring the antidiabetic activity

Synthesis and computational insights of flavone derivatives as potential estrogen receptor alpha (ER-α) antagonist

Hormone-related breast cancer is mostly caused by interactions with estrogen receptor alpha (ER-α), which functions as a transcription factor to control the transcription of numerous genes. Flavones are considered a good substrate for the estrogen receptor. Substitution of the N-heterocyclic ring on the flavon structure may potentiate its anticancer effect. A series of flavon derivatives with an N-heteroaryl ring at the 4' position of the B ring of flavon were designed, prepared and evaluated for in vitro breast cancer activity. Binding interactions of the PzFL, PzF, PiFL, PiF and IFL compounds with ER-α were studied by molecular docking. Molecular dynamics simulation studies were carried out in order to determine the stability and convergence of protein–ligand complexes. The compounds were produced by cyclizing chalcones and chalcones were produced by Claisen–Schmidt condensation of substituted aldehydes and 2-hydroxy acetophenone. Breast cancer activity was evaluated by the MTT assay on MCF-7 cell lines. Also, compounds were studied for their estrogen receptor binding potential on the same cell lines. Molecular docking of compounds showed a good docking score. The molecular dynamics of these compounds expressed stable root mean square deviation, stable radius of gyration and low binding energy, suggesting that ligand bound to protein is quite stable in the complex. MTT assay on MCF-7 cell lines reported PzF and IFL were the most active compounds with lower IC50 values. ER-α binding assay of these compounds revealed the presence of binding interactions with receptors. This study offers a viable reference point for the design of flavon-incorporated N-heterocyclic ring derivatives as breast cancer compounds. Communicated by Ramaswamy H. Sarma</p

Coumarin-Based Sulfonamide Derivatives as Potential DPP-IV Inhibitors: Pre-ADME Analysis, Toxicity Profile, Computational Analysis, and In Vitro Enzyme Assay

Recent research on dipeptidyl peptidase-IV (DPP-IV) inhibitors has made it feasible to treat type 2 diabetes mellitus (T2DM) with minimal side effects. Therefore, in the present investigation, we aimed to discover and develop some coumarin-based sulphonamides as potential DPP-IV inhibitors in light of the fact that molecular hybridization of many bioactive pharmacophores frequently results in synergistic activity. Each of the proposed derivatives was subjected to an in silico virtual screening, and those that met all of the criteria and had a higher binding affinity with the DPP-IV enzyme were then subjected to wet lab synthesis, followed by an in vitro biological evaluation. The results of the pre-ADME and pre-tox predictions indicated that compounds 6e, 6f, 6h, and 6m to 6q were inferior and violated the most drug-like criteria. It was observed that 6a, 6b, 6c, 6d, 6i, 6j, 6r, 6s, and 6t displayed less binding free energy (PDB ID: 5Y7H) than the reference inhibitor and demonstrated drug-likeness properties, hence being selected for wet lab synthesis and the structures being confirmed by spectral analysis. In the in vitro enzyme assay, the standard drug Sitagliptin had an IC50 of 0.018 µM in the experiment which is the most potent. All the tested compounds also displayed significant inhibition of the DPP-IV enzyme, but 6i and 6j demonstrated 10.98 and 10.14 µM IC50 values, respectively, i.e., the most potent among the synthesized compounds. Based on our findings, we concluded that coumarin-based sulphonamide derivatives have significant DPP-IV binding ability and exhibit optimal enzyme inhibition in an in vitro enzyme assay

Coumarin-Based Sulfonamide Derivatives as Potential DPP-IV Inhibitors: Pre-ADME Analysis, Toxicity Profile, Computational Analysis, and In Vitro Enzyme Assay

Recent research on dipeptidyl peptidase-IV (DPP-IV) inhibitors has made it feasible to treat type 2 diabetes mellitus (T2DM) with minimal side effects. Therefore, in the present investigation, we aimed to discover and develop some coumarin-based sulphonamides as potential DPP-IV inhibitors in light of the fact that molecular hybridization of many bioactive pharmacophores frequently results in synergistic activity. Each of the proposed derivatives was subjected to an in silico virtual screening, and those that met all of the criteria and had a higher binding affinity with the DPP-IV enzyme were then subjected to wet lab synthesis, followed by an in vitro biological evaluation. The results of the pre-ADME and pre-tox predictions indicated that compounds 6e, 6f, 6h, and 6m to 6q were inferior and violated the most drug-like criteria. It was observed that 6a, 6b, 6c, 6d, 6i, 6j, 6r, 6s, and 6t displayed less binding free energy (PDB ID: 5Y7H) than the reference inhibitor and demonstrated drug-likeness properties, hence being selected for wet lab synthesis and the structures being confirmed by spectral analysis. In the in vitro enzyme assay, the standard drug Sitagliptin had an IC50 of 0.018 &micro;M in the experiment which is the most potent. All the tested compounds also displayed significant inhibition of the DPP-IV enzyme, but 6i and 6j demonstrated 10.98 and 10.14 &micro;M IC50 values, respectively, i.e., the most potent among the synthesized compounds. Based on our findings, we concluded that coumarin-based sulphonamide derivatives have significant DPP-IV binding ability and exhibit optimal enzyme inhibition in an in vitro enzyme assay