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      • KCI등재

        Study of Variable Magnetic Field and Endoscope on Peristaltic Blood Flow of Particle-fluid Suspension through an Annulus

        Muhammad Mubashir Bhatti,Ahmed Zeeshan 대한의용생체공학회 2016 Biomedical Engineering Letters (BMEL) Vol.6 No.4

        Purpose In this article, the effects of variable magnetic fieldand endoscope on peristaltic motion of non-Newtonian bloodflow of particle-fluid suspension through an annulus havebeen studied. The non-uniform annulus having incompressible,irrotational and electrically conducting fluid which is filledwith rigid particles of different shapes. An assumption oflong wavelength and zero Reynolds number approximationis applied to model the governing flow problem. A sinusoidalwave is traveling on the outer tube whereas the inner tube isconsidered as rigid and moving with a constant velocity. Methods The expressions of velocity (uf, up) and pressuregradient have been obtained analytically and closed formsolutions are presented. Numerical computation has beenperformed using symbolic computational software“Mathematica” to calculate the expressions for pressure riseand friction forces for outer and inner tube. Results and Conclusions The influence of all the physicalparameters is discussed for pressure rise and friction forces. It is found that pressure rise increases due to the influence ofmagnetic field. It is also observed that friction forces forouter tube have greater magnitude as compared to frictionforces for the inner tube. When the fluid depicts non-Newtonian behavior, then the pressure rise also diminishes. Moreover, the presence of particles in a fluid tends to resistthe pressure. Higher values of Hartmann number diminishthe friction forces significantly, however the friction forcesfor outer tube has greater magnitude as compared to innertube. The present results are also presented for Newtonianfluid by taking λ1→0, as a special case of our study.

      • KCI등재

        Effect of multi-enzymes supplementation on growth performance, meat quality, ileal digestibility, digestive enzyme activity and caecal microbiota in broilers fed low-metabolizable energy diet

        Yaqoob Muhammad Umar,Yousaf Muhammad,Iftikhar Mubashir,Hassan Safdar,Wang Geng,Imran Safdar,Zahid Muhammad Umer,Iqbal Waqar,Wang Minqi 아세아·태평양축산학회 2022 Animal Bioscience Vol.35 No.7

        Objective: This study was conducted to evaluate the effect of using low energy diet with multi-enzymes supplementation on different biological parameters in broilers. Methods: Three hundred Arbor Acres broiler chicks were randomly divided into three groups (Cont, standard metabolizable energy(ME); L-ME, ME reduced by 50 kcal/kg without enzyme; and L-ME-MES, L-ME diet was supplemented with multi-enzymes) with five replicates per group (20 chicks per replicate) at the start of second week. Grower and finisher diets were formulated according to breed specific guide and offered with free access in respective phase (two weeks for grower [8 to 21 d]; two weeks for finisher [22 to 35 d]). External marker method was used to measure the nutrient digestibility. After feeding trial, fifteen birds (one bird per replicate) were selected randomly and slaughtered for samples collection. Results: The results exhibited no effect (p>0.05) of dietary treatments on all parameters of growth performance, carcass traits, relative weight of internal organs except bursa and overall parameters of thigh meat quality. Relative weight of bursa was significantly (p<0.05) higher in L-ME than control. Multi-enzymes supplementation in low-ME diet significantly (p<0.05) improved the breast meat pH 24 h, digestibility of crude protein, duodenum weight and length, jejunal morphology, counts of Lactobacillus spp. and Bifidobacterium spp., lipase and protease activities than control. Jejunum length was increased in both L-ME and L-ME-MES treatments than that of the control (p<0.05). Breast meat cooking loss and color lightness was lower in L-ME (p<0.05) than control. Conclusion: It can therefore be concluded that broilers could be reared on low energy diet with supplementation of multi-enzymes without compromising the growth performance. In addition, it is beneficial for other biological parameters of broilers. Objective: This study was conducted to evaluate the effect of using low energy diet with multi-enzymes supplementation on different biological parameters in broilers.Methods: Three hundred Arbor Acres broiler chicks were randomly divided into three groups (Cont, standard metabolizable energy(ME); L-ME, ME reduced by 50 kcal/kg without enzyme; and L-ME-MES, L-ME diet was supplemented with multi-enzymes) with five replicates per group (20 chicks per replicate) at the start of second week. Grower and finisher diets were formulated according to breed specific guide and offered with free access in respective phase (two weeks for grower [8 to 21 d]; two weeks for finisher [22 to 35 d]). External marker method was used to measure the nutrient digestibility. After feeding trial, fifteen birds (one bird per replicate) were selected randomly and slaughtered for samples collection.Results: The results exhibited no effect (p>0.05) of dietary treatments on all parameters of growth performance, carcass traits, relative weight of internal organs except bursa and overall parameters of thigh meat quality. Relative weight of bursa was significantly (p<0.05) higher in L-ME than control. Multi-enzymes supplementation in low-ME diet significantly (p<0.05) improved the breast meat pH 24 h, digestibility of crude protein, duodenum weight and length, jejunal morphology, counts of <i>Lactobacillus</i> spp. and <i>Bifidobacterium</i> spp., lipase and protease activities than control. Jejunum length was increased in both L-ME and L-ME-MES treatments than that of the control (p<0.05). Breast meat cooking loss and color lightness was lower in L-ME (p<0.05) than control.Conclusion: It can therefore be concluded that broilers could be reared on low energy diet with supplementation of multi-enzymes without compromising the growth performance. In addition, it is beneficial for other biological parameters of broilers.

      • SCISCIESCOPUS

        Synthesis, <i>in vitro</i> and <i>in silico</i> studies of novel potent urease inhibitors: <i>N</i>-[4-({5-[(3-Un/substituted-anilino-3-oxopropyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-1,3-thiazol-2-yl]benzamides

        Abbasi, Muhammad Athar,Hassan, Mubashir,Aziz-ur-Rehman, Mubashir,Siddiqui, Sabahat Zahra,Raza, Hussain,Shah, Syed Adnan Ali,Seo, Sung-Yum Elsevier 2018 Bioorganic & medicinal chemistry Vol.26 No.13

        <P><B>Abstract</B></P> <P>The present article describes the synthesis, <I>in vitro</I> urease inhibition and <I>in silico</I> molecular docking studies of a novel series of bi-heterocyclic bi-amides. The synthesis of title compounds was initiated by benzoylation, with benzoyl chloride (<B>1</B>), of the key starter ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate (<B>2</B>) in weak basic aqueous medium followed by hydrazide formation, <B>4</B>, and cyclization with CS<SUB>2</SUB> to reach the parent bi-heterocyclic nucleophile, <I>N</I>-{4-[(5-sulfanyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazol-2-yl}benzamide (<B>5</B>). Various electrophiles, <B>8a–l</B>, were synthesized by a two-step process and these were finally coupled with <B>5</B> to yield the targeted bi-heterocyclic bi-amide molecules, <B>9a–l</B>. The structures of the newly synthesized products were corroborated by IR, <SUP>1</SUP>H NMR, <SUP>13</SUP>C NMR, EI-MS and elemental analysis. The <I>in vitro</I> screening of these molecules against urease explored that most of the compounds exhibit potent inhibitory potential against this enzyme. The compound <B>9j</B>, with IC<SUB>50</SUB> value of 2.58 ± 0.02 µM, exhibited most promising inhibitory activity among the series, relative to standard thiourea having IC<SUB>50</SUB> value of 21.11 ± 0.12 µM. <I>In silico</I> studies fully augmented the experimental enzyme inhibition results. Chemo-informatics analysis showed that synthesized compounds (<B>9a–l</B>) mostly obeyed the Lipinski's rule. Molecular docking study suggested that ligand <B>9j</B> exhibited good binding energy value (−7.10 kcal/mol) and binds within the active region of target protein. So, on the basis of present investigation, it was inferred that <B>9j</B> may serve as a novel scaffold for designing more potent urease inhibitors.</P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>

      • SCISCIESCOPUS

        Designing of promising medicinal scaffolds for Alzheimer’s disease through enzyme inhibition, lead optimization, molecular docking and dynamic simulation approaches

        Hassan, Mubashir,Abbasi, Muhammad Athar,Aziz-ur-Rehman, Muhammad Athar,Siddiqui, Sabahat Zahra,Shahzadi, Saba,Raza, Hussain,Hussain, Ghulam,Shah, Syed Adnan Ali,Ashraf, Muhamamd,Shahid, Muhammad,Seo, Academic Press 2019 Bioorganic chemistry Vol.91 No.-

        <P><B>Abstract</B></P> <P>In the designed research work, a series of 2-furoyl piperazine based sulfonamide derivatives were synthesized as therapeutic agents to target the Alzheimer’s disease. The structures of the newly synthesized compounds were characterized through spectral analysis and their inhibitory potential was evaluated against butyrylcholinesterase (BChE). The cytotoxicity of these sulfonamides was also ascertained through hemolysis of bovine red blood cells. Furthermore, compounds were inspected by Lipinki Rule and their binding profiles against BChE were discerned by molecular docking. The protein fluctuations in docking complexes were recognized by dynamic simulation. From our <I>in vitro</I> and <I>in silico</I> results <B>5c</B>, <B>5j</B> and <B>5k</B> were identified as promising lead compounds for the treatment of targeted disease.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Sulfonamide derivatives were synthesized as therapeutic agents to target the Alzheimer’s disease. </LI> <LI> The inhibitory potential of newly synthesized compounds were evaluated against butyrylcholinesterase (BChE). </LI> <LI> The cytotoxicity of these sulfonamides was also ascertained through hemolysis of bovine red blood cells. </LI> <LI> Computational analysis was performed to check their binding profile against target protein. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>

      • 2-Furoic piperazide derivatives as promising drug candidates of type 2 diabetes and Alzheimer’s diseases: <i>In vitro</i> and <i>in silico</i> studies

        Abbasi, Muhammad Athar,Hassan, Mubashir,ur-Rehman, Aziz,Siddiqui, Sabahat Zahra,Hussain, Ghulam,Shah, Syed Adnan Ali,Ashraf, Muhammad,Shahid, Muhammad,Seo, Sung Yum Elsevier 2018 Computational biology and chemistry Vol.77 No.-

        <P><B>Abstract</B></P> <P>The heterocyclic compounds have been extensively reported for their bioactivity potential. The current research work reports the synthesis of some new multi-functional derivatives of 2-furoic piperazide (<B>1</B>; 1-(2-furoyl)piperazine). The synthesis was initiated by reacting the starting compound <B>1</B> with 3,5-dichloro-2-hydroxybenzenesulfonyl chloride (<B>2</B>) in a basic, polar and protic medium to obtain the parent sulfonamide <B>3</B> which was then treated with different electrophiles, <B>4a–g</B>, in a polar and aprotic medium to acquire the designed molecules, <B>5a</B>–<B>g</B>. These convergent derivatives were evaluated for their inhibitory potential against <I>α</I>-glucosidase, acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes. Acarbose was used as a reference standard for <I>α</I>-glucosidase inhibition while eserine for AChE and BChE inhibition. Some of the synthesized compounds were identified as promising inhibitors of these three enzymes and their bioactivity potentials were also supported by molecular docking study. The most active compounds among the synthetic analogues might be helpful in drug discovery and development for the treatment of type 2 diabetes and Alzhiemer’s diseases.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Synthesis of multi-functional 2-furoic piperazide derivatives. </LI> <LI> Enzyme inhibitory studies against different enzymes. </LI> <LI> Computational studies to augment the <I>in vitro</I> results. </LI> <LI> Suitable therapeutic agents for type 2 diabetes and Alzheimer’s disease. </LI> <LI> Mild hemolytic agents toward red blood cell membrane. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>

      • SCISCIESCOPUS

        Exploration of synthetic multifunctional amides as new therapeutic agents for Alzheimer's disease through enzyme inhibition, chemoinformatic properties, molecular docking and dynamic simulation insights

        Hassan, Mubashir,Abbasi, Muhammad Athar,Aziz-ur-Rehman, Muhammad Athar,Siddiqui, Sabahat Zahra,Hussain, Ghulam,Shah, Syed Adnan Ali,Shahid, Muhammad,Seo, Sung-Yum Elsevier 2018 Journal of theoretical biology Vol.458 No.-

        <P><B>Abstract</B></P> <P>A new series of multifunctional amides has been synthesized having moderate enzyme inhibitory potentials and mild cytotoxicity. 2-Furyl(1-piperazinyl)methanone (<B>1</B>) was coupled with 3,5-dichloro-2-hydroxybenzenesulfonyl chloride (<B>2</B>) to form {4-[(3,5-dichloro-2-hydroxyphenyl)sulfonyl]-1-piperazinyl}(2-furyl)methanone (<B>3</B>). Different elecrophiles were synthesized by the reaction of various un/substituted anilines (<B>4a-o</B>) with 2-bromoacetylbromide (<B>5</B>), 2‑bromo‑<I>N</I>-(un/substituted-phenyl)acetamides (<B>6a-o</B>). Further, equimolar ratios of <B>3</B> and <B>6a-o</B> were allowed to react in the presence of K<SUB>2</SUB>CO<SUB>3</SUB> in acetonitrile to form desired multifunctional amides (<B>7a-o</B>). The structural confirmation of all the synthesized compounds was carried out by their EI-MS, IR, <SUP>1</SUP>H NMR and <SUP>13</SUP>C NMR spectral data. Enzyme inhibition activity was performed against acetyl and butyrylcholinestrase enzymes, whereby <B>7e</B> showed very good activity having IC<SUB>50</SUB> value of 5.54 ± 0.03 and 9.15 ± 0.01 <I>μ</I>M, respectively, relative to eserine, a reference standard. Hemolytic activity of the molecules was checked to asertain their cytotoxicity towards red blood cell membrance and it was observed that most of the compounds were not toxic up to certain range. Moreover, chemoinformatic protepties and docking simulation results also showed the significance of <B>7e</B> as compared to other compounds. Based on <I>in vitro</I> and <I>in silico</I> analysis <B>7e</B> could be used as a template for the development of new drugs against Alzheimer's disease.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Designing of multifunctional amides derivatives as acetyl and butyrylcholinesterase inhibitors. </LI> <LI> Chemoinformatic, molecular docking and simulation analysis was against most potent inhibitor <B>7e.</B> </LI> <LI> In vitro and in silico results showed the significance of <B>7e</B> and could be used as a template for novel drugs against Alzheimer's disease. </LI> </UL> </P>

      • Synthesis and structure-activity relationship of tyrosinase inhibiting novel bi-heterocyclic acetamides: Mechanistic insights through enzyme inhibition, kinetics and computational studies

        Butt, Abdul Rehman Sadiq,Abbasi, Muhammad Athar,Aziz-ur-Rehman, Muhammad Athar,Siddiqui, Sabahat Zahra,Raza, Hussain,Hassan, Mubashir,Shah, Syed Adnan Ali,Shahid, Muhammad,Seo, Sung-Yum Elsevier 2019 Bioorganic chemistry Vol.86 No.-

        <P><B>Abstract</B></P> <P>The present research was designed for the selective synthesis of novel bi-heterocyclic acetamides, <B>9a-n</B>, and their tyrosinase inhibition to overwhelm the problem of melanogenesis. The structures of newly synthesized compounds were confirmed by spectral techniques such as <SUP>1</SUP>H NMR, <SUP>13</SUP>C NMR, and EI-MS along with elemental analysis. The inhibitory effects of these bi-heterocyclic acetamides (<B>9a-n</B>) were evaluated against tyrosinase and all these molecules were recognized as potent inhibitors relative to the standard used. The Kinetics mechanism was analyzed by Lineweaver-Burk plots which explored that compound, <B>9h</B>, inhibited tyrosinase competitively by forming an enzyme-inhibitor complex. The inhibition constants K<I> <SUB>i</SUB> </I> calculated from Dixon plots for this compound was 0.0027 µM. The computational study was coherent with the experimental records and these ligands exhibited good binding energy values (kcal/mol). The hemolytic analysis revealed their mild cytotoxicity towards red blood cell membranes and hence, these molecules can be pondered as nontoxic medicinal scaffolds for skin pigmentation and related disorders.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Synthesis of novel bi-heterocyclic acetamides and their tyrosinase inhibition to overwhelm the problem of melanogenesis. </LI> <LI> <I>In vitro</I> and <I>in silico</I> analysis were performed to check their inhibitory potential against tyrosinase enzymes. </LI> <LI> The molecules with small sized methyl group/s at <I>ortho</I>-position/s in aryl part or a flexible phenethyl group, generally inhibited the tyrosinase in an excellent manner. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>

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