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  1. Fulltext Dynamics of fractional order nonlinear system: A realistic perception with neutrosophic fuzzy number and Allee effect
    Alam Khan N, Abdul Razzaq O, Riaz F, Ahmadian A, Senu N
    J Adv Res, 2021 09;32:109-118.
    PMID: 34484830 DOI: 10.1016/j.jare.2020.11.015
    Introduction: The fusion of fractional order differential equations and fuzzy numbers has been widely used in modelling different engineering and applied sciences problems. In addition to these, the Allee effect, which is of high importance in field of biology and ecology, has also shown great contribution among other fields of sciences to study the correlation between density and the mean fitness of the subject.

    Objectives: The present paper is intended to measure uncertain dynamics of an economy by restructuring the Cobb-Douglas paradigm of the renowned Solow-Swan model. The purpose of study is further boosted innovatively by subsuming the perception of logistic growth with Allee effect in the dynamics of physical capital and labor force.

    Methods: Fractional order derivative and neutrosophic fuzzy (NF) theory are applied on the parameters of the Cobb-Douglas equation. Distinctively, cogitating fractional order derivative to study the change at each fractional stage; single-valued triangular neutrosophic fuzzy numbers (SVTNFN) to cope the uncertain situations; logistic growth function with Allee effect to analyze the factors in natural way, are the significant and novel features of this endeavor.

    Results: The incorporation of the aforementioned theories and effects in the Cobb-Douglas equation, resulted in producing maximum sustainable capital investment and maximum capacity of labor force. The solutions in intervals located different possible solutions for different membership degrees, which accumulated the uncertain circumstances of a country.

    Conclusion: Explicitly, these notions add new facts and figures not only in the dynamical study of capital and labor, which has been overlooked in classical models, but also left the door open for discussion and implementation on classical models of different fields.

  2. Evaluation of potential bacterial protease inhibitor properties of selected hydroxyquinoline derivatives: an in silico docking and molecular dynamics simulation approach
    Riaz F, Hossain MS, Roney M, Ali Y, Qureshi S, Muhammad R, et al.
    J Biomol Struct Dyn, 2023 Nov;41(19):9756-9769.
    PMID: 36399018 DOI: 10.1080/07391102.2022.2146200
    Antimicrobial drug resistance (AMR) is a severe global threat to public health. The increasing emergence of drug-resistant bacteria requires the discovery of novel antibacterial agents. Quinoline derivatives have previously been reported to exhibit antimalarial, antiviral, antitumor, antiulcer, antioxidant and, most interestingly, antibacterial properties. In this study, we evaluated the binding affinity of three newly designed hydroxyquinolines derived from sulfanilamide (1), 4-amino benzoic acid (2) and sulfanilic acid (3) towards five bacterial protein targets (PDB ID: 1JIJ, 3VOB, 1ZI0, 6F86, 4CJN). The three derivatives were designed considering the amino acid residues identified at the active site of each protein involved in the binding of each co-crystallized ligand and drug-likeness properties. The ligands displayed binding energy values with the target proteins ranging from -2.17 to -8.45 kcal/mol. Compounds (1) and (3) showed the best binding scores towards 1ZI0/3VOB and 1JIJ/4CJN, respectively, which may serve as new antibiotic scaffolds. Our in silico results suggest that sulfanilamide (1) or sulfanilic acid (3) hydroxyquinoline derivatives have the potential to be developed as bacterial inhibitors, particularly MRSA inhibitors. But before that, it must go through the proper preclinical and clinical trials for further scientific validation. Further experimental studies are warranted to explore the antibacterial potential of these compounds through preclinical and clinical studies.Communicated by Ramaswamy H. Sarma.
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