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  1. AU="Imran, Aqeel"
  2. AU="Sharma, Yashoda"
  3. AU="Kosai, Jordyn"
  4. AU="Aroca Ferri, María"
  5. AU="Laba, Stephanie"
  6. AU="Kim, Ye-Sel"

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  1. Artikel ; Online: Evaluation of synthetic aminoquinoline derivatives as urease inhibitors:

    Seraj, Faiza / Khan, Khalid Mohammed / Iqbal, Jamshed / Imran, Aqeel / Hussain, Zahid / Salar, Uzma / Hameed, Shehryar / Taha, Muhammad

    Future medicinal chemistry

    2023  Band 15, Heft 18, Seite(n) 1703–1717

    Abstract: Background: ...

    Abstract Background:
    Mesh-Begriff(e) Enzyme Inhibitors/pharmacology ; Enzyme Inhibitors/chemistry ; Urease/chemistry ; Urease/metabolism ; Kinetics ; Molecular Docking Simulation ; Thiourea/chemistry ; Thiourea/pharmacology ; Aminoquinolines ; Quinolines/pharmacology ; Structure-Activity Relationship ; Molecular Structure
    Chemische Substanzen Enzyme Inhibitors ; Urease (EC 3.5.1.5) ; Thiourea (GYV9AM2QAG) ; Aminoquinolines ; Quinolines
    Sprache Englisch
    Erscheinungsdatum 2023-10-10
    Erscheinungsland England
    Dokumenttyp Journal Article
    ISSN 1756-8927
    ISSN (online) 1756-8927
    DOI 10.4155/fmc-2023-0168
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  2. Artikel ; Online: 2-Oxoquinoline-based-thiosemicarbazones as multitargeting neurotherapeutics against Alzheimer's disease: In vitro and in silico studies of MAO and ChE inhibitors.

    Basri, Rabia / Fatima, Shamool / Jalil, Saquib / Imran, Aqeel / Fatima, Noor / Syed, Asad / Bahkali, Ali H / Iqbal, Jamshed / Shafiq, Zahid

    Archiv der Pharmazie

    2023  Band 356, Heft 11, Seite(n) e2300430

    Abstract: Alzheimer's disease (AD) presents a multifactorial neurological disorder with multiple enzyme involvement in its onset. Conventional monotherapies fall short in providing long-term relief, necessitating the exploration of alternative multitargeting ... ...

    Abstract Alzheimer's disease (AD) presents a multifactorial neurological disorder with multiple enzyme involvement in its onset. Conventional monotherapies fall short in providing long-term relief, necessitating the exploration of alternative multitargeting approaches to address the complexity of AD. Therefore, the design, synthesis, and in vitro and in silico evaluation of 2-oxoquinoline-based thiosemicarbazones 9a-r as multipotent analogs, able to simultaneously inhibit the cholinesterase (ChE) and monoamine oxidase (MAO) enzymes for the potential treatment of AD, are reported. In the in vitro experimental evaluation of MAO and ChE inhibition, all tested compounds demonstrated remarkable potency exhibiting nonselective inhibition of both MAO-A and MAO-B, and selective inhibition of acetylcholinesterase (AChE) over butyrylcholinesterase (BChE), with 9d, 9j, and 9m evolving as lead compounds for MAO-A, MAO-B, and AChE, displaying IC
    Mesh-Begriff(e) Humans ; Cholinesterase Inhibitors/chemistry ; Monoamine Oxidase/metabolism ; Alzheimer Disease/drug therapy ; Butyrylcholinesterase/metabolism ; Acetylcholinesterase/metabolism ; Monoamine Oxidase Inhibitors/chemistry ; Molecular Docking Simulation ; Thiosemicarbazones/pharmacology ; Quinolones ; Kinetics ; Structure-Activity Relationship ; Nitrogen
    Chemische Substanzen Cholinesterase Inhibitors ; Monoamine Oxidase (EC 1.4.3.4) ; Butyrylcholinesterase (EC 3.1.1.8) ; Acetylcholinesterase (EC 3.1.1.7) ; Monoamine Oxidase Inhibitors ; Thiosemicarbazones ; Quinolones ; Nitrogen (N762921K75)
    Sprache Englisch
    Erscheinungsdatum 2023-09-17
    Erscheinungsland Germany
    Dokumenttyp Journal Article
    ZDB-ID 6381-2
    ISSN 1521-4184 ; 0365-6233 ; 1437-1014
    ISSN (online) 1521-4184
    ISSN 0365-6233 ; 1437-1014
    DOI 10.1002/ardp.202300430
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  3. Artikel: Exploring Novel Pyridine Carboxamide Derivatives as Urease Inhibitors: Synthesis, Molecular Docking, Kinetic Studies and ADME Profile.

    Naseer, Ayesha / Osra, Faisal Abdulrhman / Awan, Asia Naz / Imran, Aqeel / Hameed, Abdul / Ali Shah, Syed Adnan / Iqbal, Jamshed / Zakaria, Zainul Amiruddin

    Pharmaceuticals (Basel, Switzerland)

    2022  Band 15, Heft 10

    Abstract: The rapid development of resistance by ureolytic bacteria which are involved in various life-threatening conditions such as gastric and duodenal cancer has induced the need to develop a new line of therapy which has anti-urease activity. A series of ... ...

    Abstract The rapid development of resistance by ureolytic bacteria which are involved in various life-threatening conditions such as gastric and duodenal cancer has induced the need to develop a new line of therapy which has anti-urease activity. A series of pyridine carboxamide and carbothioamide derivatives which also have some novel structures were synthesized via condensation reaction and investigated against urease for their inhibitory action. Among the series, 5-chloropyridine-2 yl-methylene hydrazine carbothioamide (Rx-6) and pyridine 2-yl-methylene hydrazine carboxamide (Rx-7) IC50 = 1.07 ± 0.043 µM, 2.18 ± 0.058 µM both possessed significant activity. Furthermore, molecular docking and kinetic studies were performed for the most potent inhibitors to demonstrate the binding mode of the active pyridine carbothioamide with the enzyme urease and its mode of interaction. The ADME profile also showed that all the synthesized molecules present oral bioavailability and high GI absorption.
    Sprache Englisch
    Erscheinungsdatum 2022-10-19
    Erscheinungsland Switzerland
    Dokumenttyp Journal Article
    ZDB-ID 2193542-7
    ISSN 1424-8247
    ISSN 1424-8247
    DOI 10.3390/ph15101288
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  4. Artikel ; Online: Therapeutic potential of 1,3,4-oxadiazoles as potential lead compounds for the treatment of Alzheimer's disease.

    Naseem, Saira / Temirak, Ahmed / Imran, Aqeel / Jalil, Saquib / Fatima, Shamool / Taslimi, Parham / Iqbal, Jamshed / Tasleem, Mussarat / Tahir, Muhammad Nawaz / Shafiq, Zahid

    RSC advances

    2023  Band 13, Heft 26, Seite(n) 17526–17535

    Abstract: Monoamine oxidase and cholinesterase enzymes are important targets for the treatment of several neurological diseases especially depression, Parkinson disease and Alzheimer's. Here, we report the synthesis and testing of new 1,3,4-oxadiazole derivatives ... ...

    Abstract Monoamine oxidase and cholinesterase enzymes are important targets for the treatment of several neurological diseases especially depression, Parkinson disease and Alzheimer's. Here, we report the synthesis and testing of new 1,3,4-oxadiazole derivatives as novel inhibitors of monoamine oxidase enzymes (MAO-A and MAO-B) and cholinesterase enzymes (acetyl and butyryl cholinesterase (AChE, BChE). Compounds 4c, 4d, 4e, 4g, 4j, 4k, 4m, 4n displayed promising inhibitory effects on MAO-A (IC
    Sprache Englisch
    Erscheinungsdatum 2023-06-09
    Erscheinungsland England
    Dokumenttyp Journal Article
    ISSN 2046-2069
    ISSN (online) 2046-2069
    DOI 10.1039/d3ra01953e
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  5. Artikel ; Online: Exploiting oxadiazole-sulfonamide hybrids as new structural leads to combat diabetic complications via aldose reductase inhibition.

    Javid, Noman / Munir, Rubina / Chaudhry, Faryal / Imran, Aqeel / Zaib, Sumera / Muzaffar, Ayesha / Iqbal, Jamshed

    Bioorganic chemistry

    2020  Band 99, Seite(n) 103852

    Abstract: A series of oxadiazole-sulfonamide hybrids was synthesized through multistep reaction and for the formation of targeted thioethers 6(a-l), a much facile route was adopted through which S-alkylation was successfully carried out at room temperature. These ... ...

    Abstract A series of oxadiazole-sulfonamide hybrids was synthesized through multistep reaction and for the formation of targeted thioethers 6(a-l), a much facile route was adopted through which S-alkylation was successfully carried out at room temperature. These novel thioethers 6(a-l) were later screened against aldehyde reductase (ALR1) and aldose reductase (ALR2). Beside the enzyme inhibition studies, the compounds were also tested against cervical cancer cell lines (HeLa). The results suggested the significant inhibition pattern towards ALR2, while few compounds were active against ALR1. The synthesized derivatives have shown weak to moderate cytotoxicity. The most potent inhibitors (6b, 6e, 6f and 6l) were selected for molecular docking studies and the binding interactions were reported.
    Mesh-Begriff(e) Aldehyde Reductase/antagonists & inhibitors ; Aldehyde Reductase/metabolism ; Antioxidants/chemical synthesis ; Antioxidants/chemistry ; Antioxidants/pharmacology ; Biphenyl Compounds/antagonists & inhibitors ; Cell Survival/drug effects ; Diabetes Complications/drug therapy ; Diabetes Complications/metabolism ; Dose-Response Relationship, Drug ; Enzyme Inhibitors/chemical synthesis ; Enzyme Inhibitors/chemistry ; Enzyme Inhibitors/pharmacology ; HeLa Cells ; Humans ; Hypoglycemic Agents/chemical synthesis ; Hypoglycemic Agents/chemistry ; Hypoglycemic Agents/pharmacology ; Models, Molecular ; Molecular Structure ; Picrates/antagonists & inhibitors ; Structure-Activity Relationship
    Chemische Substanzen Antioxidants ; Biphenyl Compounds ; Enzyme Inhibitors ; Hypoglycemic Agents ; Picrates ; 1,1-diphenyl-2-picrylhydrazyl (DFD3H4VGDH) ; Aldehyde Reductase (EC 1.1.1.21)
    Sprache Englisch
    Erscheinungsdatum 2020-04-14
    Erscheinungsland United States
    Dokumenttyp 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.2020.103852
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  6. Artikel ; Online: Rhodanine-3-acetamide derivatives as aldose and aldehyde reductase inhibitors to treat diabetic complications: synthesis, biological evaluation, molecular docking and simulation studies.

    Bacha, Mohsinul Mulk / Nadeem, Humaira / Zaib, Sumera / Sarwar, Sadia / Imran, Aqeel / Rahman, Shafiq Ur / Ali, Hafiz Saqib / Arif, Muazzam / Iqbal, Jamshed

    BMC chemistry

    2021  Band 15, Heft 1, Seite(n) 28

    Abstract: In diabetes, increased accumulation of sorbitol has been associated with diabetic complications through polyol pathway. Aldose reductase (AR) is one of the key factors involved in reduction of glucose to sorbitol, thereby its inhibition is important for ... ...

    Abstract In diabetes, increased accumulation of sorbitol has been associated with diabetic complications through polyol pathway. Aldose reductase (AR) is one of the key factors involved in reduction of glucose to sorbitol, thereby its inhibition is important for the management of diabetic complications. In the present study, a series of seven 4-oxo-2-thioxo-1,3-thiazolidin-3-yl acetamide derivatives 3(a-g) were synthesized by the reaction of 5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl acetic acid (2a) and 5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl acetic acid (2b) with different amines. The synthesized compounds 3(a-g) were investigated for their in vitro aldehyde reductase (ALR1) and aldose reductase (ALR2) enzyme inhibitory potential. Compound 3c, 3d, 3e, and 3f showed ALR1 inhibition at lower micromolar concentration whereas all the compounds were more active than the standard inhibitor valproic acid. Most of the compounds were active against ALR2 but compound 3a and 3f showed higher inhibition than the standard drug sulindac. Overall, the most potent compound against aldose reductase was 3f with an inhibitory concentration of 0.12 ± 0.01 µM. In vitro results showed that vanillin derivatives exhibited better activity against both aldehyde reductase and aldose reductase. The molecular docking studies were carried out to investigate the binding affinities of synthesized derivatives with both ALR1 and ALR2. The binding site analysis of potent compounds revealed similar interactions as were found by cognate ligands within the active sites of enzymes.
    Sprache Englisch
    Erscheinungsdatum 2021-04-27
    Erscheinungsland Switzerland
    Dokumenttyp Journal Article
    ISSN 2661-801X
    ISSN (online) 2661-801X
    DOI 10.1186/s13065-021-00756-z
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  7. Artikel ; Online: Development of coumarin-thiosemicarbazone hybrids as aldose reductase inhibitors: Biological assays, molecular docking, simulation studies and ADME evaluation.

    Imran, Aqeel / Tariq Shehzad, Muhammad / Al Adhami, Taha / Miraz Rahman, Khondaker / Hussain, Dilawar / Alharthy, Rima D / Shafiq, Zahid / Iqbal, Jamshed

    Bioorganic chemistry

    2021  Band 115, Seite(n) 105164

    Abstract: The over expression of aldose reductase (ALR2) in the state of hyperglycemia causes the conversion of glucose into sorbitol and initiates polyol pathway. Accumulation of sorbitol in insulin insensitive tissue like peripheral nerves, glomerulus and eyes, ... ...

    Abstract The over expression of aldose reductase (ALR2) in the state of hyperglycemia causes the conversion of glucose into sorbitol and initiates polyol pathway. Accumulation of sorbitol in insulin insensitive tissue like peripheral nerves, glomerulus and eyes, induces diabetic complications like neuropathy, nephropathy and retinopathy. For the treatment of diabetic complications, the inhibition of aldose reductase (ALR2) is a promising approach. A series of coumarin-based thiosemicarbazone derivatives was synthesized as potential inhibitor of aldose reductase. Compound N-(2-fluorophenyl)-2-(1-(2-oxo-2H-chromen-3-yl)ethylidene)hydrazinecarbiothioamide (3n) was found to be the most promising inhibitor of ALR2 with an IC
    Mesh-Begriff(e) Aldehyde Reductase/antagonists & inhibitors ; Aldehyde Reductase/metabolism ; Binding Sites ; Coumarins/chemistry ; Enzyme Inhibitors/chemistry ; Enzyme Inhibitors/metabolism ; Enzyme Inhibitors/pharmacokinetics ; Half-Life ; Humans ; Kinetics ; Molecular Docking Simulation ; Protein Isoforms/antagonists & inhibitors ; Protein Isoforms/metabolism ; Protein Structure, Tertiary ; Structure-Activity Relationship ; Thiosemicarbazones/chemistry
    Chemische Substanzen Coumarins ; Enzyme Inhibitors ; Protein Isoforms ; Thiosemicarbazones ; coumarin (A4VZ22K1WT) ; Aldehyde Reductase (EC 1.1.1.21)
    Sprache Englisch
    Erscheinungsdatum 2021-07-13
    Erscheinungsland United States
    Dokumenttyp 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.2021.105164
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  8. Artikel ; Online: Development and exploration of novel substituted thiosemicarbazones as inhibitors of aldose reductase via in vitro analysis and computational study.

    Imran, Aqeel / Shehzad, Muhammad Tariq / Shah, Syed Jawad Ali / Al Adhami, Taha / Laws, Mark / Rahman, Khondaker Miraz / Alharthy, Rima D / Khan, Imtiaz Ali / Shafiq, Zahid / Iqbal, Jamshed

    Scientific reports

    2022  Band 12, Heft 1, Seite(n) 5734

    Abstract: The role of aldose reductase (ALR2) in causing diabetic complications is well-studied, with overactivity of ALR2 in the hyperglycemic state leading to an accumulation of intracellular sorbitol, depletion of cytoplasmic NADPH and oxidative stress and ... ...

    Abstract The role of aldose reductase (ALR2) in causing diabetic complications is well-studied, with overactivity of ALR2 in the hyperglycemic state leading to an accumulation of intracellular sorbitol, depletion of cytoplasmic NADPH and oxidative stress and causing a variety of different conditions including retinopathy, nephropathy, neuropathy and cardiovascular disorders. While previous efforts have sought to develop inhibitors of this enzyme in order to combat diabetic complications, non-selective inhibition of both ALR2 and the homologous enzyme aldehyde reductase (ALR1) has led to poor toxicity profiles, with no drugs targeting ALR2 currently approved for therapeutic use in the Western world. In the current study, we have synthesized a series of N-substituted thiosemicarbazones with added phenolic moieties, of which compound 3m displayed strong and selective ALR2 inhibitory activity in vitro (IC
    Mesh-Begriff(e) Aldehyde Reductase ; Diabetes Complications ; Enzyme Inhibitors/chemistry ; Humans ; Molecular Docking Simulation ; Structure-Activity Relationship ; Thiosemicarbazones/chemistry ; Thiosemicarbazones/pharmacology
    Chemische Substanzen Enzyme Inhibitors ; Thiosemicarbazones ; Aldehyde Reductase (EC 1.1.1.21)
    Sprache Englisch
    Erscheinungsdatum 2022-04-06
    Erscheinungsland England
    Dokumenttyp Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2615211-3
    ISSN 2045-2322 ; 2045-2322
    ISSN (online) 2045-2322
    ISSN 2045-2322
    DOI 10.1038/s41598-022-09658-z
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  9. Artikel ; Online: Development, Molecular Docking, and

    Imran, Aqeel / Shehzad, Muhammad Tariq / Shah, Syed Jawad Ali / Laws, Mark / Al-Adhami, Taha / Rahman, Khondaker Miraz / Khan, Imtiaz Ali / Shafiq, Zahid / Iqbal, Jamshed

    ACS omega

    2022  Band 7, Heft 30, Seite(n) 26425–26436

    Abstract: Diabetic complications are associated with overexpression of aldose reductase, an enzyme that catalyzes the first step of the polyol pathway. Osmotic stress in the hyperglycemic state is linked with the intracellular accumulation of sorbitol along with ... ...

    Abstract Diabetic complications are associated with overexpression of aldose reductase, an enzyme that catalyzes the first step of the polyol pathway. Osmotic stress in the hyperglycemic state is linked with the intracellular accumulation of sorbitol along with the depletion of NADPH and eventually leads to oxidative stress
    Sprache Englisch
    Erscheinungsdatum 2022-07-19
    Erscheinungsland United States
    Dokumenttyp Journal Article
    ISSN 2470-1343
    ISSN (online) 2470-1343
    DOI 10.1021/acsomega.2c02326
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  10. Artikel ; Online: Exploring synthetic and therapeutic prospects of new thiazoline derivatives as aldose reductase (ALR2) inhibitors.

    Shehzad, Muhammad Tariq / Imran, Aqeel / Hameed, Abdul / Rashida, Mariya Al / Bibi, Marium / Uroos, Maliha / Asari, Asnuzilawati / Iftikhar, Shafia / Mohamad, Habsah / Tahir, Muhammad Nawaz / Shafiq, Zahid / Iqbal, Jamshed

    RSC advances

    2021  Band 11, Heft 28, Seite(n) 17259–17282

    Abstract: Inhibition of aldose reductase (ALR2) by using small heterocyclic compounds provides a viable approach for the development of new antidiabetic agents. With our ongoing interest towards aldose reductase (ALR2) inhibition, we have synthesized and screened ... ...

    Abstract Inhibition of aldose reductase (ALR2) by using small heterocyclic compounds provides a viable approach for the development of new antidiabetic agents. With our ongoing interest towards aldose reductase (ALR2) inhibition, we have synthesized and screened a series of thiazoline derivatives (5a-k, 6a-f, 7a-1 & 8a-j) to find a lead as a potential new antidiabetic agent. The bioactivity results showed the thiazoline-based compound 7b having a benzyl substituent and nitrophenyl substituent-bearing compound 8e were identified as the most potent molecules with IC
    Sprache Englisch
    Erscheinungsdatum 2021-05-11
    Erscheinungsland England
    Dokumenttyp Journal Article
    ISSN 2046-2069
    ISSN (online) 2046-2069
    DOI 10.1039/d1ra01716k
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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