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  1. Article ; 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  Volume 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.
    Keywords 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
    Subject code 006
    Language English
    Publishing date 2023-03-01T00:00:00Z
    Publisher Polish Association for Knowledge Promotion
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  2. Article ; 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  Volume 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.
    Keywords classification ; congenital clubfoot ; surgery ; Medicine ; R
    Language English
    Publishing date 2021-06-01T00:00:00Z
    Publisher Nobel Medical College Teaching Hospital
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  3. Article ; 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.
    Keywords c-Src tyrosine kinase ; Pharmacophore modeling ; Virtual screening ; Drug discovery ; DFT analysis ; Molecular dynamics simulation ; Science (General) ; Q1-390
    Subject code 540
    Language English
    Publishing date 2024-03-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  4. Article ; 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  Volume 34759

    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2023-09-01T00:00:00Z
    Publisher American Chemical Society
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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

    Shahid, Afzal Hussain / Singh, Maheshwari Prasad

    Biomedical engineering letters

    2020  Volume 10, Issue 2, Page(s) 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
    Language English
    Publishing date 2020-04-16
    Publishing country Germany
    Document type 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
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; 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.
    Keywords Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha ; Phytoconstituents ; Apollinine ; Isoglycyrol ; Virtual screening ; Physics ; QC1-999 ; Chemistry ; QD1-999
    Subject code 540
    Language English
    Publishing date 2024-06-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  7. Article ; 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 ...
    Keywords CDK7 kinase ; Inhibitor ; Drug repurposing ; Virtual Screening ; Molecular Docking ; Molecular Simulation ; Chemistry ; QD1-999
    Subject code 571
    Language English
    Publishing date 2023-02-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  8. Article ; 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  Volume 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.
    Keywords amiloride ; FRET ; protein–ligand interaction ; human serum albumin ; Organic chemistry ; QD241-441
    Subject code 540
    Language English
    Publishing date 2023-11-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  9. Article ; Online: Negative Pressure Wound Therapy With and Without Instillation in Necrotizing Soft Tissue Infections.

    Afzal, Hussain / Dawson, Erin / Fonseca, Ricardo / Canas, Melissa / Diaz, Leonardo / Filippis, Alejandro De / Mazuski, John / Bochicchio, Kelly M / Bochicchio, Grant V

    Surgical infections

    2024  Volume 25, Issue 3, Page(s) 199–205

    Abstract: Background: ...

    Abstract Background:
    MeSH term(s) Male ; Humans ; Negative-Pressure Wound Therapy/methods ; Soft Tissue Infections/therapy ; Wound Healing ; Quality of Life ; Fournier Gangrene/therapy ; Wound Infection/therapy
    Language English
    Publishing date 2024-02-28
    Publishing country United States
    Document type Journal Article
    ZDB-ID 1440120-4
    ISSN 1557-8674 ; 1096-2964
    ISSN (online) 1557-8674
    ISSN 1096-2964
    DOI 10.1089/sur.2023.299
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article ; Online: Does Negative Pressure Wound Therapy Impact the Outcome for Patients With Necrotizing Soft Tissue Infection Infected With Anaerobic Bacteria?

    Afzal, Hussain / Dawson, Erin / Fonseca, Ricardo / Canas, Melissa / Diaz, Leonardo / Filippis, Alejandro De / Bochicchio, Kelly M / Bochicchio, Grant V

    Surgical infections

    2024  Volume 25, Issue 3, Page(s) 179–184

    Abstract: Background: ...

    Abstract Background:
    MeSH term(s) Male ; Humans ; Soft Tissue Infections/surgery ; Negative-Pressure Wound Therapy ; Debridement/methods ; Bacteria, Anaerobic ; Retrospective Studies ; Prospective Studies ; Fasciitis, Necrotizing/therapy ; Oxygen
    Chemical Substances Oxygen (S88TT14065)
    Language English
    Publishing date 2024-02-20
    Publishing country United States
    Document type Journal Article
    ZDB-ID 1440120-4
    ISSN 1557-8674 ; 1096-2964
    ISSN (online) 1557-8674
    ISSN 1096-2964
    DOI 10.1089/sur.2023.300
    Database MEDical Literature Analysis and Retrieval System OnLINE

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