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  1. Artikel ; Online: A COMPARATIVE STUDY ON PERFORMANCE OF BASIC AND ENSEMBLE CLASSIFIERS WITH VARIOUS DATASETS

    Archana GUNAKALA / Afzal Hussain SHAHID

    Applied Computer Science, Vol 19, Iss 1, Pp 107-

    2023  Band 132

    Abstract: Classification plays a critical role in machine learning (ML) systems for processing images, text and high -dimensional data. Predicting class labels from training data is the primary goal of classification. An optimal model for a particular ... ...

    Abstract Classification plays a critical role in machine learning (ML) systems for processing images, text and high -dimensional data. Predicting class labels from training data is the primary goal of classification. An optimal model for a particular classification problem is chosen based on the model's performance and execution time. This paper compares and analyzes the performance of basic as well as ensemble classifiers utilizing 10-fold cross validation and also discusses their essential concepts, advantages, and disadvantages. In this study five basic classifiers namely Naïve Bayes (NB), Multi-layer Perceptron (MLP), Support Vector Machine (SVM), Decision Tree (DT), and Random Forest (RF) and the ensemble of all the five classifiers along with few more combinations are compared with five University of California Irvine (UCI) ML Repository datasets and a Diabetes Health Indicators dataset from Kaggle repository. To analyze and compare the performance of classifiers, evaluation metrics like Accuracy, Recall, Precision, Area Under Curve (AUC) and F-Score are used. Experimental results showed that SVM performs best on two out of the six datasets (Diabetes Health Indicators and waveform), RF performs best for Arrhythmia, Sonar, Tic-tac-toe datasets, and the best ensemble combination is found to be DT+SVM+RF on Ionosphere dataset having respective accuracies 72.58%, 90.38%, 81.63%, 73.59%, 94.78% and 94.01%. The proposed ensemble combinations outperformed the conventional models for few datasets.
    Schlagwörter classification ; naïve bayes ; neural network ; support vector machine ; decision tree ; ensemble learning ; random forest ; Information technology ; T58.5-58.64 ; Electronic computers. Computer science ; QA75.5-76.95
    Thema/Rubrik (Code) 006
    Sprache Englisch
    Erscheinungsdatum 2023-03-01T00:00:00Z
    Verlag Polish Association for Knowledge Promotion
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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  2. Artikel ; Online: Managing the Neglected and the Residual Clubfeet with the New Operative Procedure (Hussain’s Procedure) – An Experience of Six-Month Fellowship

    Rajesh Bahadur Lakhey / Afzal Hussain

    Journal of Nobel Medical College, Vol 10, Iss 1, Pp 55-

    2021  Band 60

    Abstract: ... for the correction of orthopedic deformities including foot and ankle deformities. Dr. Afzal Hussain, a consultant ... author (Afzal Hussain). Cumming’s modification of Laavag and Ponseti score was applied ... of the new operative procedure by Dr. Afzal Hussain for congenital clubfoot in the neglected and the residual ...

    Abstract Background: Pakistan Society for Rehabilitation of the Disabled Orthopedic Hospital is renowned for the correction of orthopedic deformities including foot and ankle deformities. Dr. Afzal Hussain, a consultant orthopedic surgeon in the hospital, pioneers in treatment of foot and ankle deformities and he has developed a new operative procedure for congenital clubfoot. Working with the surgeon for 6 months during the fellowship, management of the neglected and the residual congenital clubfeet with the new operative procedure and their follow-ups were assisted by the first author. Materials and Methods: Operative procedure of the neglected and the residual congenital clubfeet, which were performed with the new operative procedure by Dr. Hussain, were assisted by the first author and a minimum of 5 years follow up was done by the senior author (Afzal Hussain). Cumming’s modification of Laavag and Ponseti score was applied for the calculation of the results at the follow-ups. Results: During the follow-ups of 11 cases of neglected congenital clubfeet and 9 cases of residual clubfeet (operated earlier with posteromedial release) which had been operated by the new operative procedure, Cumming’s modification of Laavag and Ponseti scores of the operated clubfeet were calculated and the results were found to be excellent. Conclusion: Early results of the new operative procedure by Dr. Afzal Hussain for congenital clubfoot in the neglected and the residual congenital clubfeet were found to be excellent.
    Schlagwörter classification ; congenital clubfoot ; surgery ; Medicine ; R
    Sprache Englisch
    Erscheinungsdatum 2021-06-01T00:00:00Z
    Verlag Nobel Medical College Teaching Hospital
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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  3. Artikel ; Online: Comprehensive in silico discovery of c-Src tyrosine kinase inhibitors in cancer treatment

    Saida Khamouli / Md. Tabish Rehman / Nadjiba Zegheb / Afzal Hussain / Meraj A. Khan

    Journal of King Saud University: Science, Vol 36, Iss 3, Pp 103076- (2024)

    A unified approach combining pharmacophore modeling, 3D QSAR, DFT, and molecular dynamics simulation

    2024  

    Abstract: Objective: To investigate c-Src, a non-receptor tyrosine kinase dysregulated in various cancer types including colon, breast, and pancreatic cancers, as a potential drug target for cancer therapy. Methods: Ligand-based pharmacophore modeling and 3D-QSAR ... ...

    Abstract Objective: To investigate c-Src, a non-receptor tyrosine kinase dysregulated in various cancer types including colon, breast, and pancreatic cancers, as a potential drug target for cancer therapy. Methods: Ligand-based pharmacophore modeling and 3D-QSAR analysis on a dataset of 34c-Src tyrosine kinase inhibitors were employed. The established pharmacophore model (DDRRR_1) features two hydrogen bond donor (D) and three aromatic ring (R) features, exhibiting favorable parameters (R2 = 0.926; Q2 = 0.895; F value = 47.9). Hypothesis validation, enrichment analysis, and contour plot analysis were conducted, followed by virtual screening of a PubChem database using the optimized pharmacophore model and filtering based on the Lipinski rule of five. Results: The most promising inhibitors underwent multistep molecular docking, density Functional Theory (DFT) analysis, ADMET assessments, molecular dynamics simulation, and PCA. CID_70144047 emerged as the most promising hit with all the above favorable properties. Conclusion: The study provides a comprehensive approach for identifying novel c-Src tyrosine kinase inhibitors, highlighting CID_70144047 as a promising leads with potential therapeutic applications in cancer treatment.
    Schlagwörter c-Src tyrosine kinase ; Pharmacophore modeling ; Virtual screening ; Drug discovery ; DFT analysis ; Molecular dynamics simulation ; Science (General) ; Q1-390
    Thema/Rubrik (Code) 540
    Sprache Englisch
    Erscheinungsdatum 2024-03-01T00:00:00Z
    Verlag Elsevier
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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  4. Artikel ; Online: Hansen Solubility Parameters and QbD-Oriented HPLC Method Development and Validation for Dermatokinetic Study of a Miconazole-Loaded Cationic Nanoemulsion in Rat Model

    Afzal Hussain / Mohammad A. Altamimi / Mohhammad Ramzan / Tahir Khuroo

    ACS Omega, Vol 8, Iss 38, Pp 34746-

    2023  Band 34759

    Schlagwörter Chemistry ; QD1-999
    Sprache Englisch
    Erscheinungsdatum 2023-09-01T00:00:00Z
    Verlag American Chemical Society
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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  5. Artikel ; Online: Insilico exploration of the potential inhibitory activity of DrugBank compounds against CDK7 kinase using structure-based virtual screening, molecular docking, and dynamics simulation approach

    Afzal Hussain / Ashfaq Hussain / Nazmiara Sabnam / Chandan Kumar Verma / Namita Shrivastava

    Arabian Journal of Chemistry, Vol 16, Iss 2, Pp 104460- (2023)

    1480  

    Abstract: The CDK-activating complex (CAK), which includes CDK7, cyclin H, and the RING-finger protein (MAT1), drives cell cycle advancement via T-loop phosphorylation of cell cycle CDKs.The heterotrimeric CAK complex is a component of TFIIH, a generic ... ...

    Abstract The CDK-activating complex (CAK), which includes CDK7, cyclin H, and the RING-finger protein (MAT1), drives cell cycle advancement via T-loop phosphorylation of cell cycle CDKs.The heterotrimeric CAK complex is a component of TFIIH, a generic transcription factor with dual functions in transcription and cell cycle control. CDK7 facilitates transcription by phosphorylating RNA polymerase II (Pol II) at active gene promoters. The “hallmark of cancer” has been attributed to cell cycle dysregulation, as well as aberrant transcriptions mediated by various pathways found in a variety of malignancies. Furthermore, clinical outcomes show that CDK7 levels are abundantly produced in many types of malignancies, implying that it may play a role in tissue maintenance. As a result, CDK7 is regarded as a malignant therapeutic target. Selective CDK7 inhibitors (CDK7i) have been found to work as anti-cancer medications. Drugs being repurposed for CDK7 kinase treatments is a viable strategy to swiftly uncover powerful therapeutic options for some of the most challenging forms of cancer. All of the DrugBank database chemicals, as well as the CDK7 kinase protein, were prepared, and Maestro (Schrödinger Suite) and GROMACS software suite were used to perform Docking, ADMET, MMGBSA, and MD simulation analyses. After screening the DrugBank molecules against CDK7 kinase, compounds including DB07075, DB07163, DB07025, DB01204, DB03916, DB02943, DB07812, and DB07959 were discovered to fit in the active site of the CDK7 kinase and demonstrate tight interactions. The top three docked compounds were tested, and the MD simulation revealed that they were stable with the target protein at 200 ns. As a result, these chemicals have the potential to be effective CDK7 Kinase inhibitors. As a final result, we present DB07075 (3-(5-[4-(aminomethyl)piperidin-1-yl]methyl-1H-indol-2-yl)-1H-indazole-6-carbonitrile) is a reversible inhibitor because it inactivates an enzyme through non-covalent, reversible interactions that could be a more promising ...
    Schlagwörter CDK7 kinase ; Inhibitor ; Drug repurposing ; Virtual Screening ; Molecular Docking ; Molecular Simulation ; Chemistry ; QD1-999
    Thema/Rubrik (Code) 571
    Sprache Englisch
    Erscheinungsdatum 2023-02-01T00:00:00Z
    Verlag Elsevier
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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  6. Artikel ; Online: Study of Amiloride Binding to Human Serum Albumin

    Safikur Rahman / Sana Iram / Md Tabish Rehman / Afzal Hussain / Arif Tasleem Jan / Jihoe Kim

    Molecules, Vol 28, Iss 23, p

    Insights from Thermodynamic, Spectroscopic, and Molecular Docking Investigations

    2023  Band 7688

    Abstract: This study was undertaken to investigate the interaction between the sodium channel blocker amiloride (AML) and human serum albumin (HSA). A combination of multi-spectroscopic techniques and computational methods were employed to identify the AML binding ...

    Abstract This study was undertaken to investigate the interaction between the sodium channel blocker amiloride (AML) and human serum albumin (HSA). A combination of multi-spectroscopic techniques and computational methods were employed to identify the AML binding site on HSA and the forces responsible for the formation of the HSA–AML complex. Our findings revealed that AML specifically binds to Sudlow’s site II, located in subdomain IIIA of HSA, and that the complex formed is stabilized using van der Waals hydrogen-bonding and hydrophobic interactions. FRET analysis showed that the distance between AML and Trp214 was optimal for efficient quenching. UV-Vis spectroscopy and circular dichroism indicated minor changes in the structure of HSA after AML binding, and molecular dynamics simulations (MDS) conducted over 100 ns provided additional evidence of stable HSA–AML-complex formation. This study enhances understanding of the interaction between AML and HSA and the mechanism responsible.
    Schlagwörter amiloride ; FRET ; protein–ligand interaction ; human serum albumin ; Organic chemistry ; QD241-441
    Thema/Rubrik (Code) 540
    Sprache Englisch
    Erscheinungsdatum 2023-11-01T00:00:00Z
    Verlag MDPI AG
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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  7. Artikel ; Online: Identifying potential inhibitors of phosphatidylinositol 4,5-bisphosphate 3-kinase

    Taj Mohammad / Afzal Hussain / Mohamed F. Alajmi / Saba Hasan / Dharmendra Kumar Yadav / Md. Imtaiyaz Hassan

    Chemical Physics Impact, Vol 8, Iss , Pp 100458- (2024)

    Molecular dynamic insights into the interaction and inhibitory mechanism

    2024  

    Abstract: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha (PIK3CA) plays a crucial role in signaling pathways and has emerged as an attractive target for anticancer therapy. Developing small-molecule inhibitors targeting PIK3CA has emerged ... ...

    Abstract Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha (PIK3CA) plays a crucial role in signaling pathways and has emerged as an attractive target for anticancer therapy. Developing small-molecule inhibitors targeting PIK3CA has emerged as a promising therapeutic strategy. Here, we employed in-silico approaches to identify potential inhibitors of PIK3CA from a pool of bioactive phytoconstituents available from IMPPAT 2.0 database. The initial screening was based on their drug-like properties and docking score, followed by interaction analysis and 100 nanoseconds (ns) molecular dynamics (MD) simulations to evaluate their conformational stability with PIK3CA. MD simulation studies suggested the formation of stable complexes between PIK3CA and the elucidated compounds Apollinine and Isoglycyrol. These compounds exhibited exceptional drug-like properties, potential binding efficiency, and remarkable stability. The findings suggest that Apollinine and Isoglycyrol could serve as potential leads in the therapeutic development of PIK3CA inhibitors for targeting cancer. Moreover, the insights gained from the simulation dynamics shed light on the molecular mechanisms of PIK3CA inhibition that facilitate the rational design of future inhibitors.
    Schlagwörter Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha ; Phytoconstituents ; Apollinine ; Isoglycyrol ; Virtual screening ; Physics ; QC1-999 ; Chemistry ; QD1-999
    Thema/Rubrik (Code) 540
    Sprache Englisch
    Erscheinungsdatum 2024-06-01T00:00:00Z
    Verlag Elsevier
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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  8. Artikel ; Online: A deep learning approach for prediction of Parkinson's disease progression.

    Shahid, Afzal Hussain / Singh, Maheshwari Prasad

    Biomedical engineering letters

    2020  Band 10, Heft 2, Seite(n) 227–239

    Abstract: This paper proposes a deep neural network (DNN) model using the reduced input feature space of Parkinson's telemonitoring dataset to predict Parkinson's disease (PD) progression. PD is a chronic and progressive nervous system disorder that affects body ... ...

    Abstract This paper proposes a deep neural network (DNN) model using the reduced input feature space of Parkinson's telemonitoring dataset to predict Parkinson's disease (PD) progression. PD is a chronic and progressive nervous system disorder that affects body movement. PD is assessed by using the unified Parkinson's disease rating scale (UPDRS). In this paper, firstly, principal component analysis (PCA) is employed to the featured dataset to address the multicollinearity problems in the dataset and to reduce the dimension of input feature space. Then, the reduced input feature space is fed into the proposed DNN model with a tuned parameter norm penalty (L2) and analyses the prediction performance of it in PD progression by predicting Motor and Total-UPDRS score. The model's performance is evaluated by conducting several experiments and the result is compared with the result of previously developed methods on the same dataset. The model's prediction accuracy is measured by fitness parameters, mean absolute error (MAE), root mean squared error (RMSE), and coefficient of determination (R
    Sprache Englisch
    Erscheinungsdatum 2020-04-16
    Erscheinungsland Germany
    Dokumenttyp Journal Article
    ZDB-ID 2602422-6
    ISSN 2093-985X ; 2093-9868
    ISSN (online) 2093-985X
    ISSN 2093-9868
    DOI 10.1007/s13534-020-00156-7
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  9. Artikel ; Online: 5-Fluorouracil Loaded Biogenic and Albumin Capped Gold Nanoparticles Using Bacterial Enzyme—In Vitro-In Silico Gastroplus ® Simulation and Prediction

    Wael A. Mahdi / Afzal Hussain / Mohd. Ramzan

    Processes, Vol 8, Iss 1579, p

    2020  Band 1579

    Abstract: The study investigated in situ biosynthesis of albumin capped 5-fluorouracil (5-FU) loaded gold nanoparticles (NPs) using bacterial extract for enhanced efficacy against MCF-7 and in silico prediction using a GastroPlus ® software. The optimized ... ...

    Abstract The study investigated in situ biosynthesis of albumin capped 5-fluorouracil (5-FU) loaded gold nanoparticles (NPs) using bacterial extract for enhanced efficacy against MCF-7 and in silico prediction using a GastroPlus ® software. The optimized formulations were characterized for morphology, size, zeta potential, drug loading (%DL) and entrapment (), compatibility, in vitro drug release, in vitro hemolysis, cellular toxicity and apoptosis studies. The results exhibited highly dispersed albumin capped mono-metallic stable NPs. Spherical size, negative zeta potential and polydispersity index were in range of 38.25–249.62 nm, 18.18–29.87 mV and 0.11–0.283, respectively. F11, F7 and F3 showed a progressive increase in %DL and with increased concentration of the cellular lysate (100% > 50% > 10%). The drug release was relatively extended over 48 h as compared to drug solution (96.64% release within 5 h). The hemolysis result ensured hemocompatibility (<14%) at the explored concentration. The biogenic F11 was more cytotoxic (81.99% inhibition by F11 and 72.04% by pure 5-FU) to the MCF-7 cell lines as compared to others which may be attributed to the preferential accumulation by the tumor cell and capped albumin as the source of energy to the cancer cells. Finally, GastroPlus ® predicted the key factors responsible for improved pharmacokinetics parameters and regional absorption from various segments of human intestine. Thus, the approach can be more efficacious and suitable to control breast cancer when administered transdermally or orally.
    Schlagwörter 5-fluorouracil ; biogenic gold nanoparticles ; albumin capping ; hemocompatible ; MCF-7 cell lines ; in silico GastroPlus ® simulation and prediction ; Chemical technology ; TP1-1185 ; Chemistry ; QD1-999
    Thema/Rubrik (Code) 500
    Sprache Englisch
    Erscheinungsdatum 2020-11-01T00:00:00Z
    Verlag MDPI AG
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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  10. Artikel ; Online: Four-Dimensional Printing for Hydrogel

    Syed Sarim Imam / Afzal Hussain / Mohammad A. Altamimi / Sultan Alshehri

    Polymers, Vol 13, Iss 3858, p

    Theoretical Concept, 4D Materials, Shape-Morphing Way, and Future Perspectives

    2021  Band 3858

    Abstract: The limitations and challenges possessed in static 3D materials necessitated a new era of 4D shape-morphing constructs for wide applications in diverse fields of science. Shape-morphing behavior of 3D constructs over time is 4D design. Four-dimensional ... ...

    Abstract The limitations and challenges possessed in static 3D materials necessitated a new era of 4D shape-morphing constructs for wide applications in diverse fields of science. Shape-morphing behavior of 3D constructs over time is 4D design. Four-dimensional printing technology overcomes the static nature of 3D, improves substantial mechanical strength, and instills versatility and clinical and nonclinical functionality under set environmental conditions (physiological and artificial). Four-dimensional printing of hydrogel-forming materials possesses remarkable properties compared to other printing techniques and has emerged as the most established technique for drug delivery, disease diagnosis, tissue engineering, and biomedical application using shape-morphing materials (natural, synthetic, semisynthetic, and functionalized) in response to single or multiple stimuli. In this article, we addressed a fundamental concept of 4D-printing evolution, 4D printing of hydrogel, shape-morphing way, classification, and future challenges. Moreover, the study compiled a comparative analysis of 4D techniques, 4D products, and mechanical perspectives for their functionality and shape-morphing dynamics. Eventually, despite several advantages of 4D technology over 3D technique in hydrogel fabrication, there are still various challenges to address with using current advanced and sophisticated technology for rapid, safe, biocompatible, and clinical transformation from small-scale laboratory (lab-to-bed translation) to commercial scale.
    Schlagwörter 4D-printing technique ; 4D-printed hydrogel ; 4D shape morphing ; comparative analysis ; challenges and future perspective ; Organic chemistry ; QD241-441
    Thema/Rubrik (Code) 670
    Sprache Englisch
    Erscheinungsdatum 2021-11-01T00:00:00Z
    Verlag MDPI AG
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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