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  1. Article ; Online: New ferrocene integrated amphiphilic guanidines: Synthesis, spectroscopic elucidation, DFT calculation and in vitro α-amylase and α-glucosidase inhibition combined with molecular docking approach

    Zubair, Shumaila / Badshah, Amin / Patujo, Jahangeer / Khan, Mehmand / Raheel, Ahmad / Asghar, Faiza / Imtiaz, Shamila

    Heliyon. 2023 Apr., v. 9, no. 4 p.e14919-

    2023  

    Abstract: Three N, N', N"-trisubstituted ferrocenyl guanidines (MG-10, MG-12 and MG-14) were synthesized, characterized by several analytical methods such as FT-IR, ¹H and ¹³C NMR, elemental analysis and UV-visible spectroscopy. These compounds have long chain ... ...

    Abstract Three N, N', N"-trisubstituted ferrocenyl guanidines (MG-10, MG-12 and MG-14) were synthesized, characterized by several analytical methods such as FT-IR, ¹H and ¹³C NMR, elemental analysis and UV-visible spectroscopy. These compounds have long chain aliphatic groups therefore their aliphatic nature has been evaluated by determining their critical micelle concentration (CMC). CMC point decreases from 0.036 mM to 0.013 mM with increase in the aliphatic chain length. The quantum mechanical parameters such as the energy of frontier molecular orbitals (EHOMO and ELUMO) and the Mulliken charge distribution on the optimized structures were determined using a DFT/B3LYP method combined with the 6-31G (d,p) basis set in the gas phase. The in vitro antidiabetic activity of synthesized compounds showed that MG-12 has IC₅₀value 23.10 μg/mL against α-amylase while MG-10 has IC₅₀value 27.32 μg/mL against α-glucosidase with the respective standard Acarbose (IC₅₀value 20.12 μg/mL). Theoretical docking analysis demonstrated that MG-10 and MG-12 interacted with α-amylase by 3 types of interaction, including hydrogen bonds, hydrophobic interactions and electrostatic interactions.
    Keywords acarbose ; alpha-amylase ; energy ; ferrocenes ; glycemic effect ; guanidines ; hydrogen ; hydrophobicity ; micelles ; quantum mechanics ; ultraviolet-visible spectroscopy ; Ferrocene based guanidine ; α-amylase inhibition ; α-glucosidase inhibition ; Critical micelle concentration ; Docking analysis
    Language English
    Dates of publication 2023-04
    Publishing place Elsevier Ltd
    Document type Article ; Online
    Note Use and reproduction
    ZDB-ID 2835763-2
    ISSN 2405-8440
    ISSN 2405-8440
    DOI 10.1016/j.heliyon.2023.e14919
    Database NAL-Catalogue (AGRICOLA)

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  2. Article: New ferrocene integrated amphiphilic guanidines: Synthesis, spectroscopic elucidation, DFT calculation and in vitro α-amylase and α-glucosidase inhibition combined with molecular docking approach.

    Zubair, Shumaila / Badshah, Amin / Patujo, Jahangeer / Khan, Mehmand / Raheel, Ahmad / Asghar, Faiza / Imtiaz, Shamila

    Heliyon

    2023  Volume 9, Issue 4, Page(s) e14919

    Abstract: Three N, N', N″-trisubstituted ferrocenyl guanidines (MG-10, MG-12 and MG-14) were synthesized, characterized by several analytical methods such as FT-IR, ...

    Abstract Three N, N', N″-trisubstituted ferrocenyl guanidines (MG-10, MG-12 and MG-14) were synthesized, characterized by several analytical methods such as FT-IR,
    Language English
    Publishing date 2023-03-28
    Publishing country England
    Document type Journal Article
    ZDB-ID 2835763-2
    ISSN 2405-8440
    ISSN 2405-8440
    DOI 10.1016/j.heliyon.2023.e14919
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article: Frequency of low birth weight and its relationship with maternal serum zinc: a cross-sectional study.

    Karim, Saira / Fazal, Shabana / Naeem, Muhammad / Ali, Hikmat / Fazal, Rozina / Karim, Ambreen / Hashmi, Saira / Baloch, Yasir / Khan, Mehmand / Mumtaz, Hassan

    Annals of medicine and surgery (2012)

    2023  Volume 85, Issue 6, Page(s) 2469–2473

    Abstract: Fetal and neonatal mortality and morbidity are connected to low birth weight (LBW), which is also associated with slow growth and cognitive development. Several factors, such as maternal nutrition, LBW deliveries, and additional dietary intake, ... ...

    Abstract Fetal and neonatal mortality and morbidity are connected to low birth weight (LBW), which is also associated with slow growth and cognitive development. Several factors, such as maternal nutrition, LBW deliveries, and additional dietary intake, contribute to pregnancy outcomes. This study aimed to compare the maternal serum zinc levels between the LBW and normal birth weight neonates. Moreover, we will also determine the frequency of LBW in the local population.
    Material and method: This cross-sectional study was conducted at a tertiary care hospital from June 2021 to June 2022. Three hundred eighty-two gravid females with active labor (≥2 uterine contractions in 10 min) were enrolled in the study. Neonates at birth were weighed and divided into two groups: LBW and average or normal birth weight. Maternal serum zinc levels were performed by serum multi-element spectrometry (ICP-DRC-MS method). The data were analyzed using SPSS software.
    Results: Three hundred eighty-two patients enrolled in this study. The results showed the mean age of patients was 24.04±3.49 years, and the mean maternal zinc levels were found to be 75.32±13.80 μg/dl, respectively. Babies delivered at LBW had low maternal mean serum zinc levels (63.88±10.95 mg/dl) compared to babies with normal birth weight whose levels were comparatively high (83.83±8.57 mg/dl).
    Conclusion: It can be concluded that maternal dietary factors and nutrition are essential during fetal development and have an important association with birth weight.Zinc supplementation and other minerals should be prioritized because they may increase these infants' birth weight. Increasing maternal zinc consumption has a significant positive linear relationship with infant birth weight.
    Language English
    Publishing date 2023-05-03
    Publishing country England
    Document type Journal Article
    ZDB-ID 2745440-X
    ISSN 2049-0801
    ISSN 2049-0801
    DOI 10.1097/MS9.0000000000000687
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Cardioprotective effect of tetra(aniline) containing terpolymers through miR-15a-5p and MFN-2 regulation against hypertrophic responses.

    Mushtaq, Iram / Mushtaq, Irrum / Akhlaq, Asia / Usman, Sumaira / Ishtiaq, Ayesha / Khan, Mehmand / Mustafa, Ghazala / Khan, Muhammad Saad / Urooj, Iqra / Bibi, Shabana / Liaqat, Faroha / Akhtar, Zareen / Murtaza, Iram

    Archives of biochemistry and biophysics

    2023  Volume 747, Page(s) 109763

    Abstract: Objective: Cardiac hypertrophy is a condition of abnormal cardiomyocyte enlargement accompanied by ventricular wall thickening. The study aims to investigate the role of miR-15a-5p in the regulation of mitofusin-2 (MFN-2) and to explore the ... ...

    Abstract Objective: Cardiac hypertrophy is a condition of abnormal cardiomyocyte enlargement accompanied by ventricular wall thickening. The study aims to investigate the role of miR-15a-5p in the regulation of mitofusin-2 (MFN-2) and to explore the cardioprotective effect of terpolymers ES-37 and L-37.
    Methods: In this study, the Sprague Dawley rats' cardiac hypertrophic model was established by administering 5 mg/kg Isoproterenol subcutaneously every other day for 14 days. As treatment rats received NAC (50 mg/kg), NAC treatment (50 mg/kg NAC + 5 mg/kg ISO), ES-37 (1 mg/kg) and ES-37 treatment (1 mg/kg ES-37+5 mg/kg ISO), L-37 (1 mg/kg) and L-37 treatment (1 mg/kg L-37+5 mg/kg ISO). subcutaneously every other day for 14 days. NAC, ES 37 and L-37 were given after 1 h of Isoproterenol administration in treatment groups. Cardiac hypertrophy was confirmed through morphological and histological analysis. For estimation of oxidative stress profiling, ROS and TBARS and antioxidative profiling superoxide dismutase (SOD), Catalase, and Glutathione (GSH) levels were checked. Triglyceride, cholesterol, alanine transaminase (ALT), and aspartate transaminase (AST) were performed to evaluate levels of lipid profiling and liver profiling. Molecular expression analysis was checked through real-time PCR, and western blotting both at the transcriptional and translational levels. Molecular docking studies were performed to study the interactions and modes of binding between the synthetic polymers with three proteins (Mitofusin-2, DRP-1 and PUMA). All the studies were carried out using the AutoDock Vina software and the protein-ligand complexes were visualized in Biovia Discovery Studio. Cardiac hypertrophy was confirmed by the relative changes in the cellular structure of the heart by histopathological examination and physiological changes by estimating organ weights. Biochemical profiling results depict elevated oxidative and lipid profiles signify myocardial damage. N-acetyl cysteine (NAC), ES-37, and L-37 overcome the cardiac hypertrophic responses through attenuating oxidative stress and enhancing the antioxidative signaling mechanism. miR-15a-5p was identified as hypertrophic microRNA directly regulating the expression of Mitofusin-2 (MFN-2). Significantly increased expression of miR-15a-5p, Dynamin related protein 1 (Drp1), and P53 upregulated modulator of apoptosis (PUMA), was observed in the disease group, whereas MFN-2 expression was observed downregulated. N-acetyl cysteine (NAC), ES-37, and L-37 showed increased expression of antiapoptotic maker MFN-2 and decreased expression of miR-15a-5p, Drp1, and PUMA in treatment groups suggesting their cardioprotective role in attenuation of cardiac hypertrophy. An analysis of the docking results shows that ES-37 has greater binding affinity with the target proteins compared to L-37, with the highest binding values reported for MFN-2.
    Conclusion: The physiochemical properties of ES-37 and L-37 predicted it as a good drug-like molecule and its mechanism of action is predictably through inhibition of ROS. Molecular docking results shows that the polymer ES-37 has greater binding affinity with the target proteins compared to L-37, with the highest binding values reported for MFN-2. Thus, the study validates the role and targeting of miR-15a-5p and MFN-2 in cardiac hypertrophy as well as the therapeutic potential of NAC, ES-37, and L-37 in overcoming oxidative stress and myocardial damage.
    Language English
    Publishing date 2023-09-20
    Publishing country United States
    Document type Journal Article
    ZDB-ID 523-x
    ISSN 1096-0384 ; 0003-9861
    ISSN (online) 1096-0384
    ISSN 0003-9861
    DOI 10.1016/j.abb.2023.109763
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Uc I Zs.237: Show issues Location:
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    ab Jg. 2022: Lesesaal (EG)

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  5. Article ; Online: Cardioprotective effect of tetra(aniline) containing terpolymers through miR-15a-5p and MFN-2 regulation against hypertrophic responses

    Mushtāq, Iram / Mushtaq, Irrum / Akhlaq, Asia / Usman, Sumaira / Ishtiaq, Ayesha / Khan, Mehmand / Mustafa, Ghazala / Khan, Muhammad Saad / Arooj, Iqra / Bibi, Shabana / Liaqat, Faroha / Akhtar, Zareen / Murtaza, Iram

    Archives of Biochemistry and Biophysics. 2023 Sept. 20, p.109763-

    2023  , Page(s) 109763–

    Abstract: Cardiac hypertrophy is a condition of abnormal cardiomyocyte enlargement accompanied by ventricular wall thickening. The study aims to investigate the role of miR-15a-5p in the regulation of mitofusin-2 (MFN-2) and to explore the cardioprotective effect ... ...

    Abstract Cardiac hypertrophy is a condition of abnormal cardiomyocyte enlargement accompanied by ventricular wall thickening. The study aims to investigate the role of miR-15a-5p in the regulation of mitofusin-2 (MFN-2) and to explore the cardioprotective effect of terpolymers ES-37 and L-37. In this study, the Sprague Dawley rats’ cardiac hypertrophic model was established by administering 5 mg/kg Isoproterenol subcutaneously every other day for 14 days. As treatment rats received NAC (50 mg/kg), NAC treatment (50 mg/kg NAC + 5 mg/kg ISO), ES-37 (1 mg/kg) and ES-37 treatment (1 mg/kg ES-37+5 mg/kg ISO), L-37 (1 mg/kg) and L-37 treatment (1 mg/kg L-37+5 mg/kg ISO). subcutaneously every other day for 14 days. NAC, ES 37 and L-37 were given after 1 h of Isoproterenol administration in treatment groups. Cardiac hypertrophy was confirmed through morphological and histological analysis. For estimation of oxidative stress profiling, ROS and TBARS and antioxidative profiling superoxide dismutase (SOD), Catalase, and Glutathione (GSH) levels were checked. Triglyceride, cholesterol, alanine transaminase (ALT), and aspartate transaminase (AST) were performed to evaluate levels of lipid profiling and liver profiling. Molecular expression analysis was checked through real-time PCR, and western blotting both at the transcriptional and translational levels. Molecular docking studies were performed to study the interactions and modes of binding between the synthetic polymers with three proteins (Mitofusin-2, DRP-1 and PUMA). All the studies were carried out using the AutoDock Vina software and the protein-ligand complexes were visualized in Biovia Discovery Studio. Cardiac hypertrophy was confirmed by the relative changes in the cellular structure of the heart by histopathological examination and physiological changes by estimating organ weights. Biochemical profiling results depict elevated oxidative and lipid profiles signify myocardial damage. N-acetyl cysteine (NAC), ES-37, and L-37 overcome the cardiac hypertrophic responses through attenuating oxidative stress and enhancing the antioxidative signaling mechanism. miR-15a-5p was identified as hypertrophic microRNA directly regulating the expression of Mitofusion-2 (MFN-2). Significantly increased expression of miR-15a-5p, Dynamin related protein 1 (Drp1), and P53 upregulated modulator of apoptosis (PUMA), was observed in the disease group, whereas MFN-2 expression was observed downregulated. N-acetyl cysteine (NAC), ES-37, and L-37 showed increased expression of antiapoptotic maker MFN-2 and decreased expression of miR-15a-5p, Drp1, and PUMA in treatment groups suggesting their cardioprotective role in attenuation of cardiac hypertrophy. An analysis of the docking results shows that ES-37 has greater binding affinity with the target proteins compared to L-37, with the highest binding values reported for MFN-2. The physiochemical properties of ES-37 and L-37 predicted it as a good drug-like molecule and its mechanism of action is predictably through inhibition of ROS. Molecular docking results shows that the polymer ES-37 has greater binding affinity with the target proteins compared to L-37, with the highest binding values reported for MFN-2. Thus, the study validates the role and targeting of miR-15a-5p and MFN-2 in cardiac hypertrophy as well as the therapeutic potential of NAC, ES-37, and LS-37 in overcoming oxidative stress and myocardial damage.
    Keywords alanine transaminase ; aniline ; apoptosis ; aspartate transaminase ; biophysics ; cardiomyocytes ; cardioprotective effect ; catalase ; cell structures ; cholesterol ; computer software ; cysteine ; dynamins ; glutathione ; histology ; histopathology ; hypertrophy ; isoproterenols ; liver ; mechanism of action ; microRNA ; models ; oxidative stress ; polymers ; quantitative polymerase chain reaction ; superoxide dismutase ; therapeutics ; transcription (genetics) ; triacylglycerols ; microRNAs ; Antioxidants ; Terpolymers ; Molecular docking
    Language English
    Dates of publication 2023-0920
    Publishing place Elsevier Inc.
    Document type Article ; Online
    Note Pre-press version
    ZDB-ID 523-x
    ISSN 1096-0384 ; 0003-9861
    ISSN (online) 1096-0384
    ISSN 0003-9861
    DOI 10.1016/j.abb.2023.109763
    Database NAL-Catalogue (AGRICOLA)

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  6. Article ; Online: Assessing the biological potential of new symmetrical ferrocene based bisthiourea analogues.

    Patujo, Jahangeer / Azeem, Maria / Khan, Mehmand / Muhammad, Haji / Raheel, Ahmad / Fatima, Saira / Mirza, Bushra / Hussain, Zakir / Badshah, Amin

    Bioorganic chemistry

    2020  Volume 106, Page(s) 104180

    Abstract: In the present work synthesis and characterization of five new bisferrocenyl bisthiourea analogues ( ... ...

    Abstract In the present work synthesis and characterization of five new bisferrocenyl bisthiourea analogues (G
    MeSH term(s) Anti-Infective Agents/chemical synthesis ; Anti-Infective Agents/metabolism ; Anti-Infective Agents/pharmacology ; Bacteria/drug effects ; Catalytic Domain ; Density Functional Theory ; Drug Design ; Ferrous Compounds/chemical synthesis ; Ferrous Compounds/metabolism ; Ferrous Compounds/pharmacology ; Fungi/drug effects ; Glycoside Hydrolase Inhibitors/chemical synthesis ; Glycoside Hydrolase Inhibitors/metabolism ; Glycoside Hydrolase Inhibitors/pharmacology ; Humans ; Hypoglycemic Agents/chemical synthesis ; Hypoglycemic Agents/metabolism ; Hypoglycemic Agents/pharmacology ; Metallocenes/chemical synthesis ; Metallocenes/metabolism ; Metallocenes/pharmacology ; Microbial Sensitivity Tests ; Models, Chemical ; Molecular Docking Simulation ; Molecular Structure ; Protein Binding ; Structure-Activity Relationship ; Thiourea/analogs & derivatives ; Thiourea/metabolism ; Thiourea/pharmacology ; alpha-Amylases/antagonists & inhibitors ; alpha-Amylases/chemistry ; alpha-Amylases/metabolism ; alpha-Glucosidases/chemistry ; alpha-Glucosidases/metabolism
    Chemical Substances Anti-Infective Agents ; Ferrous Compounds ; Glycoside Hydrolase Inhibitors ; Hypoglycemic Agents ; Metallocenes ; alpha-Amylases (EC 3.2.1.1) ; alpha-Glucosidases (EC 3.2.1.20) ; Thiourea (GYV9AM2QAG) ; ferrocene (U96PKG90JQ)
    Language English
    Publishing date 2020-08-27
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 120080-x
    ISSN 1090-2120 ; 0045-2068
    ISSN (online) 1090-2120
    ISSN 0045-2068
    DOI 10.1016/j.bioorg.2020.104180
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    Zs.A 4207: Show issues Location:
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