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  1. Artikel ; Online: Dynamics of camel and human hemoglobin revealed by molecular simulations

    Amanat Ali / Soja Saghar Soman / Ranjit Vijayan

    Scientific Reports, Vol 12, Iss 1, Pp 1-

    2022  Band 14

    Abstract: Abstract Hemoglobin is one of the most widely studied proteins genetically, biochemically, and structurally. It is an oxygen carrying tetrameric protein that imparts the characteristic red color to blood. Each chain of hemoglobin harbors a heme group ... ...

    Abstract Abstract Hemoglobin is one of the most widely studied proteins genetically, biochemically, and structurally. It is an oxygen carrying tetrameric protein that imparts the characteristic red color to blood. Each chain of hemoglobin harbors a heme group embedded in a hydrophobic pocket. Several studies have investigated structural variations present in mammalian hemoglobin and their functional implications. However, camel hemoglobin has not been thoroughly explored, especially from a structural perspective. Importantly, very little is known about how the heme group interacts with hemoglobin under varying conditions of osmolarity and temperature. Several experimental studies have indicated that the tense (T) state is more stable than the relaxed (R) state of hemoglobin under normal physiological conditions. Despite the fact that R state is less stable than the T state, no extensive structural dynamics studies have been performed to investigate global quaternary transitions of R state hemoglobin under normal physiological conditions. To evaluate this, several 500 ns all-atom molecular dynamics simulations were performed to get a deeper understanding of how camel hemoglobin behaves under stress, which it is normally exposed to, when compared to human hemoglobin. Notably, camel hemoglobin was more stable under physiological stress when compared to human hemoglobin. Additionally, when compared to camel hemoglobin, cofactor-binding regions of hemoglobin also exhibited more fluctuations in human hemoglobin under the conditions studied. Several differences were observed between the residues of camel and human hemoglobin that interacted with heme. Importantly, distal residues His58 of α hemoglobin and His63 of β hemoglobin formed more sustained interactions, especially at higher temperatures, in camel hemoglobin. These residues are important for oxygen binding to hemoglobin. Thus, this work provides insights into how camel and human hemoglobin differ in their interactions under stress.
    Schlagwörter Medicine ; R ; Science ; Q
    Thema/Rubrik (Code) 612
    Sprache Englisch
    Erscheinungsdatum 2022-01-01T00:00:00Z
    Verlag Nature Portfolio
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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  2. Artikel ; Online: Dynamics of the ACE2–SARS-CoV-2/SARS-CoV spike protein interface reveal unique mechanisms

    Amanat Ali / Ranjit Vijayan

    Scientific Reports, Vol 10, Iss 1, Pp 1-

    2020  Band 12

    Abstract: Abstract The coronavirus disease 2019 (COVID-19) pandemic, caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), is a major public health concern. A handful of static structures now provide molecular insights into how SARS-CoV-2 and ...

    Abstract Abstract The coronavirus disease 2019 (COVID-19) pandemic, caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), is a major public health concern. A handful of static structures now provide molecular insights into how SARS-CoV-2 and SARS-CoV interact with its host target, which is the angiotensin converting enzyme 2 (ACE2). Molecular recognition, binding and function are dynamic processes. To evaluate this, multiple 500 ns or 1 μs all-atom molecular dynamics simulations were performed to better understand the structural stability and interfacial interactions between the receptor binding domain of the spike (S) protein of SARS-CoV-2 and SARS-CoV bound to ACE2. Several contacts were observed to form, break and reform in the interface during the simulations. Our results indicate that SARS-CoV-2 and SARS-CoV utilizes unique strategies to achieve stable binding to ACE2. Several differences were observed between the residues of SARS-CoV-2 and SARS-CoV that consistently interacted with ACE2. Notably, a stable salt bridge between Lys417 of SARS-CoV-2 S protein and Asp30 of ACE2 as well as three stable hydrogen bonds between Tyr449, Gln493 and Gln498 of SARS-CoV-2 and Asp38, Glu35 and Lys353 of ACE2 were observed, which were absent in the ACE2–SARS-CoV interface. Some previously reported residues, which were suggested to enhance the binding affinity of SARS-CoV-2, were not observed to form stable interactions in these simulations. Molecular mechanics-generalized Born surface area based free energy of binding was observed to be higher for SARS-CoV-2 in all simulations. Stable binding to the host receptor is crucial for virus entry. Therefore, special consideration should be given to these stable interactions while designing potential drugs and treatment modalities to target or disrupt this interface.
    Schlagwörter Medicine ; R ; Science ; Q ; covid19
    Sprache Englisch
    Erscheinungsdatum 2020-08-01T00:00:00Z
    Verlag Nature Publishing Group
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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  3. Artikel ; Online: Combined application of zinc oxide and iron nanoparticles enhanced Red Sails lettuce growth and antioxidants enzymes activities while reducing the chromium uptake by plants grown in a Cr-contaminated soil.

    Sameer, Alisha / Rabia, Sara / Khan, Aamir Amanat Ali / Zaman, Qamar Uz / Hussain, Afzal

    International journal of phytoremediation

    2024  , Seite(n) 1–13

    Abstract: Soil contamination with chromium (Cr) is becoming a primary ecological and health concern, specifically in the Kasur and Sialkot regions of Pakistan. The main objective of the current study was to evaluate the impact of foliar application of zinc oxide ... ...

    Abstract Soil contamination with chromium (Cr) is becoming a primary ecological and health concern, specifically in the Kasur and Sialkot regions of Pakistan. The main objective of the current study was to evaluate the impact of foliar application of zinc oxide nanoparticles (ZnO NPs) (0, 25, 50, 100 mg L
    Sprache Englisch
    Erscheinungsdatum 2024-05-14
    Erscheinungsland United States
    Dokumenttyp Journal Article
    ZDB-ID 2055357-2
    ISSN 1549-7879 ; 1522-6514
    ISSN (online) 1549-7879
    ISSN 1522-6514
    DOI 10.1080/15226514.2024.2351508
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  4. Artikel ; Online: The Impact of Foreign Aid on Income Inequality

    Misbah Nosheen / Sundas Maqbool / Syed Hila Mubarak / Amanat Ali

    NUST Journal of Social Sciences and Humanities, Vol 7, Iss

    Evidence from Developing Countries. Application of the FMOLS Approach

    2022  Band 2

    Abstract: The present study aims to evaluate the impact of foreign assistance on income inequality of selected developing economies. Panel co-integration technique is applied for the purpose of estimation. After confirming the pre-conditions for cointegration, we ... ...

    Abstract The present study aims to evaluate the impact of foreign assistance on income inequality of selected developing economies. Panel co-integration technique is applied for the purpose of estimation. After confirming the pre-conditions for cointegration, we have applied the Fully Modified-OLS method to estimate the association between foreign aid and income inequality. Controlling for other variables, we find a positive and significant association between foreign aid and inequality. The empirical results are robust concerning the sub-samples of developing economies selected according to the income classification of the World Bank. The empirical results are also robust concerning the alternative measure of income inequality.
    Schlagwörter Foreign Aid ; Inequality ; Gini Index ; Pedroni Test ; Social Sciences ; H
    Sprache Englisch
    Erscheinungsdatum 2022-07-01T00:00:00Z
    Verlag National University of Sciences and Technology
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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  5. Artikel ; Online: Interaction of Glutathione with MMACHC Arginine-Rich Pocket Variants Associated with Cobalamin C Disease

    Priya Antony / Bincy Baby / Amanat Ali / Ranjit Vijayan / Fatma Al Jasmi

    Biomedicines, Vol 11, Iss 12, p

    Insights from Molecular Modeling

    2023  Band 3217

    Abstract: Methylmalonic aciduria and homocystinuria type C protein (MMACHC) is required by the body to metabolize cobalamin (Cbl). Due to its complex structure and cofactor forms, Cbl passes through an extensive series of absorptive and processing steps before ... ...

    Abstract Methylmalonic aciduria and homocystinuria type C protein (MMACHC) is required by the body to metabolize cobalamin (Cbl). Due to its complex structure and cofactor forms, Cbl passes through an extensive series of absorptive and processing steps before being delivered to mitochondrial methyl malonyl-CoA mutase and cytosolic methionine synthase. Depending on the cofactor attached, MMACHC performs either flavin-dependent reductive decyanation or glutathione (GSH)-dependent dealkylation. The alkyl groups of Cbl have to be removed in the presence of GSH to produce intermediates that can later be converted into active cofactor forms. Pathogenic mutations in the GSH binding site, such as R161Q, R161G, R206P, R206W, and R206Q, have been reported to cause Cbl diseases. The impact of these variations on MMACHC’s structure and how it affects GSH and Cbl binding at the molecular level is poorly understood. To better understand the molecular basis of this interaction, mutant structures involving the MMACHC-MeCbl-GSH complex were generated using in silico site-directed point mutations and explored using molecular dynamics (MD) simulations. The results revealed that mutations in the key arginine residues disrupt GSH binding by breaking the interactions and reducing the free energy of binding of GSH. Specifically, variations at position 206 appeared to produce weaker GSH binding. The lowered binding affinity for GSH in the variant structures could impact metabolic pathways involving Cbl and its trafficking.
    Schlagwörter glutathione ; methylcobalamin ; arginine-rich pocket ; docking ; molecular dynamics ; Biology (General) ; QH301-705.5
    Thema/Rubrik (Code) 570
    Sprache Englisch
    Erscheinungsdatum 2023-12-01T00:00:00Z
    Verlag MDPI AG
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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  6. Artikel ; Online: The Impact of Foreign Aid on Income Inequality

    Misbah Nosheen / Sundas Maqbool / Syed Hila Mubarak / Amanat Ali

    NUST Journal of Social Sciences and Humanities, Vol 7, Iss

    Evidence from Developing Countries. Application of the FMOLS Approach

    2022  Band 2

    Abstract: The present study aims to evaluate the impact of foreign assistance on income inequality of selected developing economies. Panel co-integration technique is applied for the purpose of estimation. After confirming the pre-conditions for cointegration, we ... ...

    Abstract The present study aims to evaluate the impact of foreign assistance on income inequality of selected developing economies. Panel co-integration technique is applied for the purpose of estimation. After confirming the pre-conditions for cointegration, we have applied the Fully Modified-OLS method to estimate the association between foreign aid and income inequality. Controlling for other variables, we find a positive and significant association between foreign aid and inequality. The empirical results are robust concerning the sub-samples of developing economies selected according to the income classification of the World Bank. The empirical results are also robust concerning the alternative measure of income inequality.
    Schlagwörter Foreign Aid ; Inequality ; Gini Index ; Pedroni Test ; Social Sciences ; H
    Sprache Englisch
    Erscheinungsdatum 2022-07-01T00:00:00Z
    Verlag National University of Sciences and Technology
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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  7. Artikel ; Online: Strategic Flexibility and Organizational Performance

    Muhammad Awais / Amanat Ali / Muhammad Sajid Khattak / Muhammad Irfanullah Arfeen / Muhammad Azam I. Chaudhary / Aleena Syed

    SAGE Open, Vol

    Mediating Role of Innovation

    2023  Band 13

    Abstract: Strategic flexibility is deemed to be an important organizational capability for enhancing innovation and improving organizational performance (OP) in uncertain, turbulent, and ever-changing business environments. Many studies have investigated the ... ...

    Abstract Strategic flexibility is deemed to be an important organizational capability for enhancing innovation and improving organizational performance (OP) in uncertain, turbulent, and ever-changing business environments. Many studies have investigated the impact of strategic flexibility on innovation and OP in various contexts and found that strategic flexibility enhances innovation and improves OP. Other studies have found negative association or no association between strategic flexibility and OP. Therefore, it is not much clear whether strategic flexibility improves OP directly or through innovation. Especially, the mediating role of innovation in the association between strategic flexibility and OP in engineering project-based organizations has not been fully grabbed in prior literature and Pakistan remained unexplored. This study has strived to examine the mediating role of innovation in the association between strategic flexibility and OP in this context. Drawing upon resource based and dynamic capability views, an explanatory model was developed and tested by applying PLS-SEM higher order component modeling approach using sample data from 184 organizations in Pakistan. The results revealed that strategic flexibility is positively associated with innovation and OP. Innovation is positively associated with OP. The association between strategic flexibility and OP is partially mediated by innovation. The study promotes academic rigor and provides a new theoretical model. Mangers, decision-makers, and policy-makers can utilize the results to update their plans to achieve sustainable OP. The other organizations in various countries operating under similar conditions can also take the advantage of this study.
    Schlagwörter History of scholarship and learning. The humanities ; AZ20-999 ; Social Sciences ; H
    Thema/Rubrik (Code) 650
    Sprache Englisch
    Erscheinungsdatum 2023-06-01T00:00:00Z
    Verlag SAGE Publishing
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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  8. Artikel ; Online: Characterization of ACE2 naturally occurring missense variants

    Sally Badawi / Feda E. Mohamed / Nesreen R. Alkhofash / Anne John / Amanat Ali / Bassam R. Ali

    Human Genomics, Vol 16, Iss 1, Pp 1-

    impact on subcellular localization and trafficking

    2022  Band 16

    Abstract: Abstract Background Human angiotensin-converting enzyme 2 (ACE2), a type I transmembrane receptor physiologically acting as a carboxypeptidase enzyme within the renin-angiotensin system (RAS), is a critical mediator of infection by several severe acute ... ...

    Abstract Abstract Background Human angiotensin-converting enzyme 2 (ACE2), a type I transmembrane receptor physiologically acting as a carboxypeptidase enzyme within the renin-angiotensin system (RAS), is a critical mediator of infection by several severe acute respiratory syndrome (SARS) corona viruses. For instance, it has been demonstrated that ACE2 is the primary receptor for the SARS-CoV-2 entry to many human cells through binding to the viral spike S protein. Consequently, genetic variability in ACE2 gene has been suggested to contribute to the variable clinical manifestations in COVID-19. Many of those genetic variations result in missense variants within the amino acid sequence of ACE2. The potential effects of those variations on binding to the spike protein have been speculated and, in some cases, demonstrated experimentally. However, their effects on ACE2 protein folding, trafficking and subcellular targeting have not been established. Results In this study we aimed to examine the potential effects of 28 missense variants (V801G, D785N, R768W, I753T, L731F, L731I, I727V, N720D, R710H, R708W, S692P, E668K, V658I, N638S, A627V, F592L, G575V, A501T, I468V, M383I, G173S, N159S, N149S, D38E, N33D, K26R, I21T, and S19P) distributed across the ACE2 receptor domains on its subcellular trafficking and targeting through combinatorial approach involving in silico analysis and experimental subcellular localization analysis. Our data show that none of the studied missense variants (including 3 variants predicted to be deleterious R768W, G575V, and G173S) has a significant effect on ACE2 intracellular trafficking and subcellular targeting to the plasma membrane. Conclusion Although the selected missense variants display no significant change in ACE2 trafficking and subcellular localization, this does not rule out their effect on viral susceptibility and severity. Further studies are required to investigate the effect of ACE2 variants on its expression, binding, and internalization which might explain the variable clinical ...
    Schlagwörter Angiotensin-converting enzyme 2 (ACE2) ; Subcellular trafficking ; SARS-CoV-2 ; Polymorphism ; Medicine ; R ; Genetics ; QH426-470
    Thema/Rubrik (Code) 612
    Sprache Englisch
    Erscheinungsdatum 2022-09-01T00:00:00Z
    Verlag BMC
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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  9. Artikel ; Online: Molecular insights into the interaction of hemorphin and its targets

    Amanat Ali / Bincy Baby / Soja Saghar Soman / Ranjit Vijayan

    Scientific Reports, Vol 9, Iss 1, Pp 1-

    2019  Band 16

    Abstract: Abstract Hemorphins are atypical endogenous opioid peptides produced by the cleavage of hemoglobin beta chain. Several studies have reported the therapeutic potential of hemorphin in memory enhancement, blood regulation, and analgesia. However, the mode ... ...

    Abstract Abstract Hemorphins are atypical endogenous opioid peptides produced by the cleavage of hemoglobin beta chain. Several studies have reported the therapeutic potential of hemorphin in memory enhancement, blood regulation, and analgesia. However, the mode of interaction of hemorphin with its target remains largely elusive. The decapeptide LVV-hemorphin-7 is the most stable form of hemorphin. It binds with high affinity to mu-opioid receptors (MOR), angiotensin-converting enzyme (ACE) and insulin-regulated aminopeptidase (IRAP). In this study, computational methods were used extensively to elucidate the most likely binding pose of mammalian LVV-hemorphin-7 with the aforementioned proteins and to calculate the binding affinity. Additionally, alignment of mammalian hemorphin sequences showed that the hemorphin sequence of the camel harbors a variation – a Q > R substitution at position 8. This study also investigated the binding affinity and the interaction mechanism of camel LVV-hemorphin-7 with these proteins. To gain a better understanding of the dynamics of the molecular interactions between the selected targets and hemorphin peptides, 100 ns molecular dynamics simulations of the best-ranked poses were performed. Simulations highlighted major interactions between the peptides and key residues in the binding site of the proteins. Interestingly, camel hemorphin had a higher binding affinity and showed more interactions with all three proteins when compared to the canonical mammalian LVV-hemorphin-7. Thus, camel LVV-hemorphin-7 could be explored as a potent therapeutic agent for memory loss, hypertension, and analgesia.
    Schlagwörter Medicine ; R ; Science ; Q
    Thema/Rubrik (Code) 540
    Sprache Englisch
    Erscheinungsdatum 2019-10-01T00:00:00Z
    Verlag Nature Publishing Group
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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  10. Artikel ; Online: RESULTS OF IRRIGATION OF MAXILLARY SINUS WITH METRONIDAZOLE AFTER ANTRAL WASHOUT IN PATIENTS WITH CHRONIC MAXILLARY SINUSITIS

    Amir Ali Khan / Amanat Ali Shah / Tehmina Rehman / Abdullah .

    Pakistan Armed Forces Medical Journal, Vol 68, Iss 2, Pp 241-

    2018  Band 244

    Abstract: Objective: To compare the results of antral washout with and without metronidazole irrigation of maxillary sinus in patients with chronic maxillary sinusitis. Study Design: Quasi experimental study. Place and Duration of Study: This Quasi experimental ... ...

    Abstract Objective: To compare the results of antral washout with and without metronidazole irrigation of maxillary sinus in patients with chronic maxillary sinusitis. Study Design: Quasi experimental study. Place and Duration of Study: This Quasi experimental study was carried out in Combined Military Hospital Khuzdar and Combined Military Hospital Attock, from Mar 2013 to Apr 2015. Patient and Method: One hundred patients who were between 20-50 years of age were included in this study.Half of them received antral irrigation of metronidazole in addition to postoperative oral antibiotics were compared with the other half who received just oral antibiotics after antral washout procedure. Clinical success was compared in both groups in terms of patients becoming asymptomatic. Results: Clinical success in both groups at the end of the study was 94% and 80% of patients with antral irrigation of metronidazole and without it respectively showing that metronidazole irrigation is superior method. Conclusion: Antral irrigation with metronidazole after antral washout procedure in patient with chronic maxillary sinusitis is very effective in early recovery from the disease. Keywords: Metronidazole, Rhinorrhea, Sinusitis.
    Schlagwörter metronidazole ; rhinorrhea ; Medicine ; R ; Medicine (General) ; R5-920
    Sprache Englisch
    Erscheinungsdatum 2018-04-01T00:00:00Z
    Verlag Army Medical College Rawalpindi
    Dokumenttyp Artikel ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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