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  1. Article ; Online: In vitro and In vivo study targeting the development of Unani Antidermatophytic Cream

    Hina Anjum / Ghulamuddin Sofi / Moyad Shahwan / Mohd Shahnawaz Khan / Anas Shamsi / Shariq Shamsi

    Heliyon, Vol 9, Iss 5, Pp e16154- (2023)

    Implication of Herbal Formulations in Treatment of Dermatophytosis

    2023  

    Abstract: Panwad (Cassia tora L.), Sarshaf (Brassica nigra L.) and Kunjad (Sesamum indicum L.) have been used in the treatment of ringworm infection since ancient times and are documented in classical literature of Unani Medicine. These plant drugs give promising ... ...

    Abstract Panwad (Cassia tora L.), Sarshaf (Brassica nigra L.) and Kunjad (Sesamum indicum L.) have been used in the treatment of ringworm infection since ancient times and are documented in classical literature of Unani Medicine. These plant drugs give promising results when used topically in the form of paste (zimad). Hence, the development and evaluation of a cream containing extracts of Tukhm-e-Panwad (Cassia tora L.), Sarshaf (Brassica nigra L.), and Kunjad (Sesamum indicum L.) was carried out to get better efficacy of the drugs. A total of 16 batches (F1–F16) of cream were prepared by adding varying concentrations of hydro-alcoholic extract of the drugs (20%, 40% and 50%) in water removable bases, and three batches were selected as final batches (F4-20%, F6-40% and F16-50%). In vitro antidermatophytic activity was conducted to optimize MIC against dermatophytosis-causing fungi. Dermal irritation of the prepared cream was determined in New Zealand Albino Rabbits. In vivo testing of the different concentrations of the prepared cream (20%, 40%, and 50%) was also carried out using Wistar rats to assess the antidermatophytic activity. Final batches showed good results in all the tested parameters and significant in vitro and in vivo antifungal activity in a dose-dependent manner. No microbial growth was seen in the prepared formulation. The study revealed significant antidermatophytic activity of the prepared cream against dermatophytosis-causing fungi. Hence, it can be concluded that the prepared cream can be an alternative topical agent with safe and effective antifungal activity for treating dermatophytosis.
    Keywords Chrysophanol ; Dermatophytosis ; Dermal irritation ; Ringworm ; Water removable base ; Science (General) ; Q1-390 ; Social sciences (General) ; H1-99
    Subject code 630
    Language English
    Publishing date 2023-05-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  2. Article ; Online: Experimental and Computational Insights into the Molecular Interactions between Human Transferrin and Apigenin

    Moyad Shahwan / Saleha Anwar / Dharmendra Kumar Yadav / Mohd Shahnawaz Khan / Anas Shamsi

    ACS Omega, Vol 8, Iss 49, Pp 46967-

    Implications of Natural Compounds in Targeting Neuroinflammation

    2023  Volume 46976

    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2023-11-01T00:00:00Z
    Publisher American Chemical Society
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  3. Article ; Online: Insight into the In Vitro Antiglycation and In Vivo Antidiabetic Effects of Thiamine

    K. M. Abdullah / Afrah Arefeen / Anas Shamsi / Fahad A. Alhumaydhi / Imrana Naseem

    ACS Omega, Vol 6, Iss 19, Pp 12605-

    Implications of Vitamin B1 in Controlling Diabetes

    2021  Volume 12614

    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2021-05-01T00:00:00Z
    Publisher American Chemical Society
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  4. Article ; Online: Unraveling the Binding Mechanism of Alzheimer’s Drugs with Irisin

    Rashid Waseem / Anas Shamsi / Tanzeel Khan / Md. Imtaiyaz Hassan / Syed Naqui Kazim / Mohammad Shahid / Asimul Islam

    International Journal of Molecular Sciences, Vol 23, Iss 5965, p

    Spectroscopic, Calorimetric, and Computational Approaches

    2022  Volume 5965

    Abstract: The prevalence of Alzheimer’s disease (AD) has been a major health concern for a long time. Despite recent progress, there is still a strong need to develop effective disease-modifying therapies. Several drugs have already been approved to retard the ... ...

    Abstract The prevalence of Alzheimer’s disease (AD) has been a major health concern for a long time. Despite recent progress, there is still a strong need to develop effective disease-modifying therapies. Several drugs have already been approved to retard the progression of AD-related symptoms; however, there is a need to develop an effective carrier system for the delivery of drugs to combat such diseases. In recent years, various biological macromolecules, including proteins, have been used as carriers for drug delivery. Irisin is a beneficial hormone in such diseases, including AD and related pathologies. Herein, the interaction mechanism of irisin with AD drugs such as memantine, galantamine, and fluoxetine is investigated. Fluorescence studies revealed that the above drugs bind to irisin with significant affinity, with fluoxetine having the highest binding affinity. Isothermal titration calorimetry (ITC) complemented the spontaneous binding of these drugs with irisin, delineating various associated thermodynamic and binding parameters. Molecular docking further validated the fluorescence and ITC results and unfolded the mechanism that hydrogen bonding governs the binding of fluoxetine to irisin with a significant binding score, i.e., −6.3 kcal/mol. We believe that these findings provide a promising solution to fight against AD as well as a platform for further research to utilize irisin in the drug-delivery system for an effective therapeutic strategy.
    Keywords irisin ; molecular docking ; fluorescence spectroscopy ; drug delivery ; Alzheimer’s disease ; isothermal titration calorimetry ; Biology (General) ; QH301-705.5 ; Chemistry ; QD1-999
    Subject code 540
    Language English
    Publishing date 2022-05-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  5. Article ; Online: Biophysical Elucidation of Fibrillation Inhibition by Sugar Osmolytes in α‑Lactalbumin

    Sania Bashir / Anas Shamsi / Faizan Ahmad / Md. Imtaiyaz Hassan / Mohammad Azhar Kamal / Asimul Islam

    ACS Omega, Vol 5, Iss 41, Pp 26871-

    Multispectroscopic and Molecular Docking Approaches

    2020  Volume 26882

    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2020-10-01T00:00:00Z
    Publisher American Chemical Society
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  6. Article ; Online: Multispectroscopic and Molecular Docking Insight into Elucidating the Interaction of Irisin with Rivastigmine Tartrate

    Rashid Waseem / Anas Shamsi / Taj Mohammad / Fahad A. Alhumaydhi / Syed Naqui Kazim / Md. Imtaiyaz Hassan / Faizan Ahmad / Asimul Islam

    ACS Omega, Vol 6, Iss 11, Pp 7910-

    A Combinational Therapy Approach to Fight Alzheimer’s Disease

    2021  Volume 7921

    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2021-03-01T00:00:00Z
    Publisher American Chemical Society
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  7. Article: Oxadiargyl induced conformational transition of cystatin isolated from yellow mustard seeds: Biophysical and biochemical approach

    Ahmed, Azaj / Anas Shamsi / Bilqees Bano

    International journal of biological macromolecules. 2017 May, v. 98

    2017  

    Abstract: Phytocystatins are thiol proteinase inhibitors crucial due to their inhibitory activity in plants. These play important roles in improving crop yield, protection against insects and pathogens and modulation of apoptosis. In this chemical era, various ... ...

    Abstract Phytocystatins are thiol proteinase inhibitors crucial due to their inhibitory activity in plants. These play important roles in improving crop yield, protection against insects and pathogens and modulation of apoptosis. In this chemical era, various pesticides are being used globally to increase the crop biomass. These pesticides accumulate in plant body and produce harmful effects on plants itself by interacting with essential proteins. In this present study, we have monitored the interaction of a herbicide; oxadiargyl, with phytocystatin isolated from yellow mustard seeds (YMP) by employing spectroscopic techniques viz. UV, fluorescence, FTIR and CD spectroscopy and Isothermal titration calorimetry (ITC). UV and fluorescence spectroscopy shows YMP transformation from native to non-native form apparent by decreased absorbance and decreased fluorescence. FTIR and CD spectroscopy further confirmed secondary structural disruption of YMP. Anti-papain activity assay was also carried out; a reduction in activity was observed in presence of oxadiargyl. Thermodynamic parameters obtained from ITC and stern-volmer plot shows affinity of oxadiargyl towards phytocystatin. Oxadiargyl was also found to induce ROS generation in YMP as evident by DNPH assay. Thus oxadiargyl binds to phytocystatin causing structural alterations reducing its physiological benefits and altering its functionality and ultimately leading to reduced crop yield.
    Keywords absorbance ; apoptosis ; biomass ; calorimetry ; circular dichroism spectroscopy ; crop yield ; cysteine proteinase inhibitors ; fluorescence ; fluorescence emission spectroscopy ; Fourier transform infrared spectroscopy ; insects ; oxadiargyl ; pathogens ; proteins ; thermodynamics ; titration
    Language English
    Dates of publication 2017-05
    Size p. 802-809.
    Publishing place Elsevier B.V.
    Document type Article
    ZDB-ID 282732-3
    ISSN 1879-0003 ; 0141-8130
    ISSN (online) 1879-0003
    ISSN 0141-8130
    DOI 10.1016/j.ijbiomac.2017.02.055
    Database NAL-Catalogue (AGRICOLA)

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  8. Article ; Online: Correction

    Ghulam Md. Ashraf / Debarati DasGupta / Mohammad Zubair Alam / Saleh S. Baeesa / Badrah S. Alghamdi / Firoz Anwar / Thamer M. A. Alqurashi / Sharaf E. Sharaf / Waleed Al Abdulmonem / Mohammed A. Alyousef / Fahad A. Alhumaydhi / Anas Shamsi

    Molecules, Vol 28, Iss 600, p

    Ashraf et al. Inhibition of Microtubule Affinity Regulating Kinase 4 by Metformin: Exploring the Neuroprotective Potential of Antidiabetic Drug through Spectroscopic and Computational Approaches. Molecules 2022, 27 , 4652

    2023  Volume 600

    Abstract: The updated affiliation information can be seen in the affiliation part of this correction [.] ...

    Abstract The updated affiliation information can be seen in the affiliation part of this correction [.]
    Keywords n/a ; Organic chemistry ; QD241-441
    Language English
    Publishing date 2023-01-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  9. Article ; Online: Structure-Guided Approach to Discover Tuberosin as a Potent Activator of Pyruvate Kinase M2, Targeting Cancer Therapy

    Mohd Adnan / Anas Shamsi / Abdelbaset Mohamed Elasbali / Arif Jamal Siddiqui / Mitesh Patel / Nawaf Alshammari / Salem Hussain Alharethi / Hassan H. Alhassan / Fevzi Bardakci / Md. Imtaiyaz Hassan

    International Journal of Molecular Sciences, Vol 23, Iss 13172, p

    2022  Volume 13172

    Abstract: Metabolic reprogramming is a key attribute of cancer progression. An altered expression of pyruvate kinase M2 (PKM2), a phosphotyrosine-binding protein is observed in many human cancers. PKM2 plays a vital role in metabolic reprogramming, transcription ... ...

    Abstract Metabolic reprogramming is a key attribute of cancer progression. An altered expression of pyruvate kinase M2 (PKM2), a phosphotyrosine-binding protein is observed in many human cancers. PKM2 plays a vital role in metabolic reprogramming, transcription and cell cycle progression and thus is deliberated as an attractive target in anticancer drug development. The expression of PKM2 is essential for aerobic glycolysis and cell proliferation, especially in cancer cells, facilitating selective targeting of PKM2 in cell metabolism for cancer therapeutics. We have screened a virtual library of phytochemicals from the IMPPAT (Indian Medicinal Plants, Phytochemistry and Therapeutics) database of Indian medicinal plants to identify potential activators of PKM2. The initial screening was carried out for the physicochemical properties of the compounds, and then structure-based molecular docking was performed to select compounds based on their binding affinity towards PKM2. Subsequently, the ADMET (absorption, distribution, metabolism, excretion and toxicity) properties, PAINS (Pan-assay interference compounds) patterns, and PASS evaluation were carried out to find more potent hits against PKM2. Here, Tuberosin was identified from the screening process bearing appreciable binding affinity toward the PKM2-binding pocket and showed a worthy set of drug-like properties. Finally, molecular dynamics simulation for 100 ns was performed, which showed decent stability of the protein-ligand complex and relatival conformational dynamics throughout the trajectory. The study suggests that modulating PKM2 with natural compounds is an attractive approach in treating human malignancy after required validation.
    Keywords pyruvate kinase M2 ; phytoconstituents ; tuberosin ; virtual screening ; molecular dynamics simulations ; principal component analysis ; Biology (General) ; QH301-705.5 ; Chemistry ; QD1-999
    Subject code 540
    Language English
    Publishing date 2022-10-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  10. Article ; Online: FNDC5/Irisin

    Rashid Waseem / Anas Shamsi / Taj Mohammad / Md. Imtaiyaz Hassan / Syed Naqui Kazim / Anis Ahmad Chaudhary / Hassan Ahmed Rudayni / Mohammed Al-Zharani / Faizan Ahmad / Asimul Islam

    Molecules, Vol 27, Iss 1118, p

    Physiology and Pathophysiology

    2022  Volume 1118

    Abstract: A sedentary lifestyle or lack of physical activity increases the risk of different diseases, including obesity, diabetes, heart diseases, certain types of cancers, and some neurological diseases. Physical exercise helps improve quality of life and ... ...

    Abstract A sedentary lifestyle or lack of physical activity increases the risk of different diseases, including obesity, diabetes, heart diseases, certain types of cancers, and some neurological diseases. Physical exercise helps improve quality of life and reduces the risk of many diseases. Irisin, a hormone induced by exercise, is a fragmented product of FNDC5 (a cell membrane protein) and acts as a linkage between muscles and other tissues. Over the past decade, it has become clear that irisin is a molecular mimic of exercise and shows various beneficial effects, such as browning of adipocytes, modulation of metabolic processes, regulation of bone metabolism, and functioning of the nervous system. Irisin has a role in carcinogenesis; numerous studies have shown its impact on migration, invasion, and proliferation of cancer cells. The receptor of irisin is not completely known; however, in some tissues it probably acts via a specific class of integrin receptors. Here, we review research from the past decade that has identified irisin as a potential therapeutic agent in the prevention or treatment of various metabolic-related and other diseases. This article delineates structural and biochemical aspects of irisin and provides an insight into the role of irisin in different pathological conditions.
    Keywords irisin ; structural insight ; therapeutic potential ; human pathophysiology ; Organic chemistry ; QD241-441
    Subject code 610
    Language English
    Publishing date 2022-02-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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