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Yıl 2024, Cilt: 8 Sayı: 3, 74 - 98, 19.09.2024

Anuradha Mehra , Pankaj Wadhwa Amit Mittal Aryan Mehra

https://doi.org/10.33435/tcandtc.1386285
Cited By: 1

Öz

Proje Numarası

Not Applicable

Kaynakça

  • [1] Ahmad E, Lim S, Lamptey R, Webb DR, Davies MJ. Type 2 diabetes, The Lancet, 400 (2022) 1803-1820.
  • [2] Ashcroft FM, Lloyd M, Haythorne EA. Glucokinase activity in diabetes: too much of a good thing?, Trends in Endocrinology & Metabolism, 34 (2023) 119-130.
  • [3] Artasensi A, Pedretti A, Vistoli G, Fumagalli L. Type 2 diabetes mellitus: a review of multi-target drugs, Molecules, 25 (2020) 1987.
  • [4] Diaz-Santana MV, O’Brien KM, Park YM, Sandler DP, Weinberg CR. Persistence of risk for type 2 diabetes after gestational diabetes mellitus, Diabetes Care, 45 (2022) 864-870.
  • [5] Akhtar S, Nasir JA, Ali A, Asghar M, Majeed R, Sarwar A. Prevalence of type-2 diabetes and prediabetes in Malaysia: A systematic review and meta-analysis, PloS one, 17 (2022) e0263139.
  • [6] Saleh M, Kim JY, March C, Gebara N, Arslanian S. Youth prediabetes and type 2 diabetes: risk factors and prevalence of dysglycaemia, Pediatric Obesity, 17 (2022), e12841.
  • [7] Thilagavathi R, Hosseini‐Zare MS, Malini M, Selvam C. A comprehensive review on glucokinase activators: Promising agents for the treatment of Type 2 diabetes, Chemical Biology & Drug Design, 99 (2022) 247-263.
  • [8] Sharma S, Wadhwa K, Choudhary M, Budhwar V. Ethnopharmacological perspectives of glucokinase activators in the treatment of diabetes mellitus, Natural Product Research, 36 (2022) 2962-2976.
  • [9] Kroon T, Hagstedt T, Alexandersson I, Ferm A, Petersson M, Maurer S, Zarrouki B, Wallenius K, Oakes ND, Boucher J. Chronotherapy with a glucokinase activator profoundly improves metabolism in obese Zucker rats, Science Translational Medicine, 14 (2022) eabh1316.
  • [10] Khan A, Unnisa A, Sohel M, Date M, Panpaliya N, Saboo SG, Siddiqui F, Khan S. Investigation of phytoconstituents of Enicostemma littorale as potential glucokinase activators through molecular docking for the treatment of type 2 diabetes mellitus, In Silico Pharmacology, 10 (2022) 1-6.
  • [11] Sharma P, Singh S, Sharma N, Singla D, Guarve K, Grewal AS. Targeting human Glucokinase for the treatment of type 2 diabetes: an overview of allosteric Glucokinase activators, Journal of Diabetes & Metabolic Disorders, 21 (2022) 1129-1137.
  • [12] Kawata S, Nakamura A, Miyoshi H, Yang K, Shigesawa I, Yamauchi Y, Tsuchida K, Omori K, Takahashi K, Nomoto H, Kameda H. Glucokinase activation leads to an unsustained hypoglycaemic effect with hepatic triglyceride accumulation in db/db mice. Diabetes, Obesity and Metabolism, 24 (2022) 391-401.
  • [13] Yang W, Wu H, Cai X, Lin C, Jiao R, Ji L. Evaluation of efficacy and safety of glucokinase activators—a systematic review and meta-analysis, Frontiers in Endocrinology, 14 (2023) 1175198.
  • [14] Miao J, Fu P, Ren S, Hu C, Wang Y, Jiao C, Li P, Zhao Y, Tang C, Qian Y, Yang R. Effect of renal impairment on the pharmacokinetics and safety of dorzagliatin, a novel dual‐acting glucokinase activator, Clinical and Translational Science, 15 (2022) 548-557.
  • [15] Tsumura Y, Tsushima Y, Tamura A, Kato H, Kobayashi T. Disruptions in hepatic glucose metabolism are involved in the diminished efficacy after chronic treatment with glucokinase activator, Plos one, 17 (2022) e0265761.
  • [16] Bahl V, May CL, Perez A, Glaser B, Kaestner KH. Genetic activation of α-cell glucokinase in mice causes enhanced glucose-suppression of glucagon secretion during normal and diabetic states, Molecular Metabolism, 49 (2021) 101193.
  • [17] Liu D, Du Y, Yao X, Wei Y, Zhu J, Cui C, Zhou H, Xu M, Li H, Ji L. Safety, tolerability, pharmacokinetics, and pharmacodynamics of the glucokinase activator PB-201 and its effects on the glucose excursion profile in drug-naïve Chinese patients with type 2 diabetes: a randomised controlled, crossover, single-centre phase 1 trial, EClinicalMedicine, 42 (2021) 101185.
  • [18] Li C, Zhang Y, Chen L, Li X. Glucokinase and glucokinase activator, Life Metabolism, 2 (2023) load031.
  • [19] Cai N, Chen X, Liu J, Wen Z, Wen S, Zeng W, Lin S, Chen Y, Shi G, Zeng L. Glucokinase activator improves glucose tolerance and induces hepatic lipid accumulation in mice with diet-induced obesity, Liver Research, 7 (2023) 124-135.
  • [20] Malini M, Thilagavathi R, Kumar Singh S, Pravin A, Selvam C. Structure‐Based Drug Design: Identification of Glucokinase Activators from Natural Compounds for the Treatment of Type 2 Diabetes, ChemistrySelect, 8 (2023) e202204909.
  • [21] Remedi MS, Nichols CG. Glucokinase Inhibition: A Novel Treatment for Diabetes?, Diabetes, 72 (2023) 170-174.
  • [22] Ren Y, Li L, Wan L, Huang Y, Cao S. Glucokinase as an emerging anti-diabetes target and recent progress in the development of its agonists, Journal of Enzyme Inhibition and Medicinal Chemistry, 2022 37(2023) 606-615.
  • [23] Chavan A, Daniel K, Patel AM. In-silico Exploration of Phytoconstituents of Gymnema sylvestre as Potential Glucokinase Activators and DPP-IV Inhibitors for the Future Synthesis of Silver Nanoparticles for the Treatment of Type 2 Diabetes Mellitus, Current Enzyme Inhibition, 18 (2022) 47-60.
  • [24] Kazi AA, Chatpalliwar VA. Design, Synthesis, Molecular Docking and In vitro Biological Evaluation of Benzamide Derivatives as Novel Glucokinase Activators, Current Enzyme Inhibition, 18 (2022) 61-75.
  • [25] Yadav S, Bharti S, Mathur P. GlucoKinaseDB: A comprehensive, curated resource of glucokinase modulators for clinical and molecular research, Computational Biology and Chemistry, 103 (2023) 107818.
  • [26] Santos-Ballardo CL, Montes-Ávila J, Rendon-Maldonado JG, Ramos-Payan R, Montaño S, Sarmiento-Sánchez JI, de Jesús Acosta-Cota S, Ochoa-Terán A, de Jesús Bastidas-Bastidas P, Osuna-Martínez U. Design, synthesis, in silico, and in vitro evaluation of benzylbenzimidazolone derivatives as potential drugs on α-glucosidase and glucokinase as pharmacological targets, RSC Advances, 13 (2023) 21153-21162.
  • [27] Sharma P, Thakur A, Goyal A, Grewal AS. Molecular docking, 2D-QSAR and ADMET studies of 4-sulfonyl-2-pyridone heterocycle as a potential glucokinase activator, Results in Chemistry, 6 (2023) 101105.
  • [28] Hamid AA, Abdul-Rasheed OF, Mahdi MF, Atia AJ. Design, synthesis, characterization, and biological evaluation of new diazole-benzamide derivatives as glucokinase activators with antihyperglycemic activity, Egyptian Journal of Chemistry, 65 (2022) 451-469.
  • [29] Kazi AA, Chatpalliwar VA. Design, Synthesis, Molecular Docking and In vitro Biological Evaluation of Benzamide Derivatives as Novel Glucokinase Activators, Current Enzyme Inhibition, 18 (2022) 61-75.
  • [30] Arora S, Grewal AS, Sharma N, Arora K, Dhalio E, Singh S. Design, synthesis, and evaluation of some novel N-benzothiazol-2-yl benzamide derivatives as allosteric activators of human glucokinase, Journal of Applied Pharmaceutical Science, 11 (2021) 38-47.
  • [31] Khadse SC, Amnerkar ND, Dighole KS, Dhote AM, Patil VR, Lokwani DK, Ugale VG, Charbe NB, Chatpalliwar VA. Hetero-substituted sulfonamido-benzamide hybrids as glucokinase activators: Design, synthesis, molecular docking and in-silico ADME evaluation, Journal of Molecular Structure, 1222 (2020) 128916.
  • [32] Khadse SC, Amnerkar ND, Dave MU, Lokwani DK, Patil RR, Ugale VG, Charbe NB, Chatpalliwar VA. Quinazolin-4-one derivatives lacking toxicity-producing attributes as glucokinase activators: design, synthesis, molecular docking, and in-silico ADMET prediction, Future Journal of Pharmaceutical Sciences, 5 (2019) 1-4.
  • [33] Grewal AS, Kharb R, Prasad DN, Dua JS, Lather V. N‐pyridin‐2‐yl benzamide analogues as allosteric activators of glucokinase: Design, synthesis, in vitro, in silico and in vivo evaluation, Chemical Biology & Drug Design, 93 (2019) 364-372.
  • [34] Charaya N, Pandita D, Grewal AS, Lather V. Design, synthesis and biological evaluation of novel thiazol-2-yl benzamide derivatives as glucokinase activators, Computational Biology and Chemistry, 73 (2018) 221-229.
  • [35] Kohn TJ, Du X, Lai S, Xiong Y, Komorowski R, Veniant M, Fu Z, Jiao X, Pattaropong V, Chow D, Cardozo M. 5-Alkyl-2-urea-substituted pyridines: identification of efficacious glucokinase activators with improved properties, ACS Medicinal Chemistry Letters, 7 (2016) 666-670.
  • [36] Kaur A, Thakur S, Deswal G, Chopra B, Dhingra AK, Guarve K, Grewal AS. In silico docking based screening of constituents from Persian shallot as modulators of human glucokinase, Journal of Diabetes & Metabolic Disorders, 22 (2023) 547-570.
  • [37] YANG W. 860-P: Evaluation of Efficacy and Safety of Glucokinase Activators-A Systematic Review and Meta-analysis, Diabetes, 72 (2023) 860.
  • [38] Ren Y, Li L, Wan L, Huang Y, Cao S. Glucokinase as an emerging anti-diabetes target and recent progress in the development of its agonists, Journal of Enzyme Inhibition & Medicinal Chemistry, 37 (2022) 606-615.
  • [39] Gao Q, Zhang W, Li T, Yang G, Zhu W, Chen N, Jin H. The efficacy and safety of glucokinase activators for the treatment of type-2 diabetes mellitus: a meta-analysis, Medicine, 100 (2021) 40.
  • [40] Liu J, Fu H, Kang F, Ning G, Ni Q, Wang W, Wang Q. β‐Cell glucokinase expression was increased in type 2 diabetes subjects with better glycemic control. Journal of Diabetes. 15 (2023) 409-418.
  • [41] Paliwal A, Paliwal V, Jain S, Paliwal S, Sharma S. Current Insight on the Role of Glucokinase and Glucokinase Regulatory Protein in Diabetes, Mini Reviews in Medicinal Chemistry, 24 (2023) 674-688.
  • [42] Chakera AJ, Steele AM, Gloyn AL, Shepherd MH, Shields B, Ellard S, et al. Recognition and management of individuals with hyperglycemia because of a heterozygous glucokinase mutation, Diabetes Care, 38 (2015) 1383–1392.
  • [43] Song L, Cao F, Niu S, Xu M, Liang R, Ding K, Lin Z, Yao X, Liu D. Population Pharmacokinetic/Pharmacodynamic Analysis of the Glucokinase Activator PB201 in Healthy Volunteers and Patients with Type 2 Diabetes Mellitus: Facilitating the Clinical Development of PB201 in China, Clinical Pharmacokinetics, 63 (2024) 93-108.
  • [44] Kazi AA, Chatpalliwar VA. Design, Synthesis, Molecular Docking and In vitro Biological Evaluation of Benzamide Derivatives as Novel Glucokinase Activators, Current Enzyme Inhibition, 18 (2022) 61-75.
  • [45] Kamata K, Mitsuya M, Nishimura T, Eiki JI, Nagata Y. Structural basis for allosteric regulation of the monomeric allosteric enzyme human glucokinase, Structure, 12 (2004) 429-438.
  • [46] Taherkhani A, Orangi A, Moradkhani S, Khamverdi Z. Molecular docking analysis of flavonoid compounds with matrix metalloproteinase-8 for the identification of potential effective inhibitors, Letters in Drug Design & Discovery, 18 (2021) 16-45.
  • [47] Souza PF, Lopes FE, Amaral JL, Freitas CD, Oliveira JT. A molecular docking study revealed that synthetic peptides induced conformational changes in the structure of SARS-CoV-2 spike glycoprotein, disrupting the interaction with human ACE2 receptor, International Journal of Biological Macromolecules, 164 (2020) 66-76.
  • [48] Mhaske GS, Sen AK, Shah A, Khiste RH, Dale AV, Sen DB. In Silico Identification of Novel Quinoline-3-carboxamide Derivatives Targeting Platelet-Derived Growth Factor Receptor, Current Cancer Therapy Reviews, 18 (2022) 131-142.
  • [49] Tabassum H, Ahmad IZ. Molecular docking and dynamics simulation analysis of thymoquinone and thymol compounds from Nigella sativa L. that inhibit cag A and Vac A oncoprotein of helicobacter pylori: Probable treatment of H. pylori Infections, Medicinal Chemistry, 17 (2021) 146-157.
  • [50] Athalye M, Teli D, Sharma A, Patel M. Anti‐Epileptic Drug‐Lipid Conjugates for Delivery to the Brain: In Silico ADMET Prediction, Molecular Docking and Molecular Dynamics Simulations, ChemistrySelect, 8 (2023) e202301701.
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Molecular design and virtual screening of novel heterocyclic derivatives as Glucokinase activators

Yıl 2024, Cilt: 8 Sayı: 3, 74 - 98, 19.09.2024

Anuradha Mehra , Pankaj Wadhwa Amit Mittal Aryan Mehra

https://doi.org/10.33435/tcandtc.1386285
Cited By: 1

Öz

Background: Deficiency of insulin signaling in type 2 diabetes results from insulin resistance or defective insulin secretion and induce hyperglycemia. Diabetes is a global threat that continues to increase day by day at a very high rate in both developing and developed countries. Glucokinase activators (GKA) can be a novel target used for better management of type 2 diabetes. Recently novel GKA Dorzagliatin received market approval by Japan FDA for treatment of type 2 diabetes.
Objective: The purpose of designing glucokinase activators was to develop novel therapeutic molecules with minimum side effects.
Methods: A docking study was conducted using AutoDock Vina 1.5.6, and the structures were created using ChemBiodraw Ultra. The Swiss ADME algorithm was used for online log p prediction.
Results: Among all the molecules designed, AM35 had the highest binding affinity to GK receptors. For good absorption and elimination, Log P values range from 2-3.08, indicating good lipophilic properties.
Conclusion: The new lead molecules were designed as glucokinase activators, which had a better pharmacokinetic profile and higher binding affinity.

Anahtar Kelimeler

Type 2 diabetes Glucokinase activator molecular docking AutoDock Vina

Etik Beyan

Not Applicable

Destekleyen Kurum

Not Applicable

Proje Numarası

Not Applicable

Teşekkür

Not Applicable

Kaynakça

  • [1] Ahmad E, Lim S, Lamptey R, Webb DR, Davies MJ. Type 2 diabetes, The Lancet, 400 (2022) 1803-1820.
  • [2] Ashcroft FM, Lloyd M, Haythorne EA. Glucokinase activity in diabetes: too much of a good thing?, Trends in Endocrinology & Metabolism, 34 (2023) 119-130.
  • [3] Artasensi A, Pedretti A, Vistoli G, Fumagalli L. Type 2 diabetes mellitus: a review of multi-target drugs, Molecules, 25 (2020) 1987.
  • [4] Diaz-Santana MV, O’Brien KM, Park YM, Sandler DP, Weinberg CR. Persistence of risk for type 2 diabetes after gestational diabetes mellitus, Diabetes Care, 45 (2022) 864-870.
  • [5] Akhtar S, Nasir JA, Ali A, Asghar M, Majeed R, Sarwar A. Prevalence of type-2 diabetes and prediabetes in Malaysia: A systematic review and meta-analysis, PloS one, 17 (2022) e0263139.
  • [6] Saleh M, Kim JY, March C, Gebara N, Arslanian S. Youth prediabetes and type 2 diabetes: risk factors and prevalence of dysglycaemia, Pediatric Obesity, 17 (2022), e12841.
  • [7] Thilagavathi R, Hosseini‐Zare MS, Malini M, Selvam C. A comprehensive review on glucokinase activators: Promising agents for the treatment of Type 2 diabetes, Chemical Biology & Drug Design, 99 (2022) 247-263.
  • [8] Sharma S, Wadhwa K, Choudhary M, Budhwar V. Ethnopharmacological perspectives of glucokinase activators in the treatment of diabetes mellitus, Natural Product Research, 36 (2022) 2962-2976.
  • [9] Kroon T, Hagstedt T, Alexandersson I, Ferm A, Petersson M, Maurer S, Zarrouki B, Wallenius K, Oakes ND, Boucher J. Chronotherapy with a glucokinase activator profoundly improves metabolism in obese Zucker rats, Science Translational Medicine, 14 (2022) eabh1316.
  • [10] Khan A, Unnisa A, Sohel M, Date M, Panpaliya N, Saboo SG, Siddiqui F, Khan S. Investigation of phytoconstituents of Enicostemma littorale as potential glucokinase activators through molecular docking for the treatment of type 2 diabetes mellitus, In Silico Pharmacology, 10 (2022) 1-6.
  • [11] Sharma P, Singh S, Sharma N, Singla D, Guarve K, Grewal AS. Targeting human Glucokinase for the treatment of type 2 diabetes: an overview of allosteric Glucokinase activators, Journal of Diabetes & Metabolic Disorders, 21 (2022) 1129-1137.
  • [12] Kawata S, Nakamura A, Miyoshi H, Yang K, Shigesawa I, Yamauchi Y, Tsuchida K, Omori K, Takahashi K, Nomoto H, Kameda H. Glucokinase activation leads to an unsustained hypoglycaemic effect with hepatic triglyceride accumulation in db/db mice. Diabetes, Obesity and Metabolism, 24 (2022) 391-401.
  • [13] Yang W, Wu H, Cai X, Lin C, Jiao R, Ji L. Evaluation of efficacy and safety of glucokinase activators—a systematic review and meta-analysis, Frontiers in Endocrinology, 14 (2023) 1175198.
  • [14] Miao J, Fu P, Ren S, Hu C, Wang Y, Jiao C, Li P, Zhao Y, Tang C, Qian Y, Yang R. Effect of renal impairment on the pharmacokinetics and safety of dorzagliatin, a novel dual‐acting glucokinase activator, Clinical and Translational Science, 15 (2022) 548-557.
  • [15] Tsumura Y, Tsushima Y, Tamura A, Kato H, Kobayashi T. Disruptions in hepatic glucose metabolism are involved in the diminished efficacy after chronic treatment with glucokinase activator, Plos one, 17 (2022) e0265761.
  • [16] Bahl V, May CL, Perez A, Glaser B, Kaestner KH. Genetic activation of α-cell glucokinase in mice causes enhanced glucose-suppression of glucagon secretion during normal and diabetic states, Molecular Metabolism, 49 (2021) 101193.
  • [17] Liu D, Du Y, Yao X, Wei Y, Zhu J, Cui C, Zhou H, Xu M, Li H, Ji L. Safety, tolerability, pharmacokinetics, and pharmacodynamics of the glucokinase activator PB-201 and its effects on the glucose excursion profile in drug-naïve Chinese patients with type 2 diabetes: a randomised controlled, crossover, single-centre phase 1 trial, EClinicalMedicine, 42 (2021) 101185.
  • [18] Li C, Zhang Y, Chen L, Li X. Glucokinase and glucokinase activator, Life Metabolism, 2 (2023) load031.
  • [19] Cai N, Chen X, Liu J, Wen Z, Wen S, Zeng W, Lin S, Chen Y, Shi G, Zeng L. Glucokinase activator improves glucose tolerance and induces hepatic lipid accumulation in mice with diet-induced obesity, Liver Research, 7 (2023) 124-135.
  • [20] Malini M, Thilagavathi R, Kumar Singh S, Pravin A, Selvam C. Structure‐Based Drug Design: Identification of Glucokinase Activators from Natural Compounds for the Treatment of Type 2 Diabetes, ChemistrySelect, 8 (2023) e202204909.
  • [21] Remedi MS, Nichols CG. Glucokinase Inhibition: A Novel Treatment for Diabetes?, Diabetes, 72 (2023) 170-174.
  • [22] Ren Y, Li L, Wan L, Huang Y, Cao S. Glucokinase as an emerging anti-diabetes target and recent progress in the development of its agonists, Journal of Enzyme Inhibition and Medicinal Chemistry, 2022 37(2023) 606-615.
  • [23] Chavan A, Daniel K, Patel AM. In-silico Exploration of Phytoconstituents of Gymnema sylvestre as Potential Glucokinase Activators and DPP-IV Inhibitors for the Future Synthesis of Silver Nanoparticles for the Treatment of Type 2 Diabetes Mellitus, Current Enzyme Inhibition, 18 (2022) 47-60.
  • [24] Kazi AA, Chatpalliwar VA. Design, Synthesis, Molecular Docking and In vitro Biological Evaluation of Benzamide Derivatives as Novel Glucokinase Activators, Current Enzyme Inhibition, 18 (2022) 61-75.
  • [25] Yadav S, Bharti S, Mathur P. GlucoKinaseDB: A comprehensive, curated resource of glucokinase modulators for clinical and molecular research, Computational Biology and Chemistry, 103 (2023) 107818.
  • [26] Santos-Ballardo CL, Montes-Ávila J, Rendon-Maldonado JG, Ramos-Payan R, Montaño S, Sarmiento-Sánchez JI, de Jesús Acosta-Cota S, Ochoa-Terán A, de Jesús Bastidas-Bastidas P, Osuna-Martínez U. Design, synthesis, in silico, and in vitro evaluation of benzylbenzimidazolone derivatives as potential drugs on α-glucosidase and glucokinase as pharmacological targets, RSC Advances, 13 (2023) 21153-21162.
  • [27] Sharma P, Thakur A, Goyal A, Grewal AS. Molecular docking, 2D-QSAR and ADMET studies of 4-sulfonyl-2-pyridone heterocycle as a potential glucokinase activator, Results in Chemistry, 6 (2023) 101105.
  • [28] Hamid AA, Abdul-Rasheed OF, Mahdi MF, Atia AJ. Design, synthesis, characterization, and biological evaluation of new diazole-benzamide derivatives as glucokinase activators with antihyperglycemic activity, Egyptian Journal of Chemistry, 65 (2022) 451-469.
  • [29] Kazi AA, Chatpalliwar VA. Design, Synthesis, Molecular Docking and In vitro Biological Evaluation of Benzamide Derivatives as Novel Glucokinase Activators, Current Enzyme Inhibition, 18 (2022) 61-75.
  • [30] Arora S, Grewal AS, Sharma N, Arora K, Dhalio E, Singh S. Design, synthesis, and evaluation of some novel N-benzothiazol-2-yl benzamide derivatives as allosteric activators of human glucokinase, Journal of Applied Pharmaceutical Science, 11 (2021) 38-47.
  • [31] Khadse SC, Amnerkar ND, Dighole KS, Dhote AM, Patil VR, Lokwani DK, Ugale VG, Charbe NB, Chatpalliwar VA. Hetero-substituted sulfonamido-benzamide hybrids as glucokinase activators: Design, synthesis, molecular docking and in-silico ADME evaluation, Journal of Molecular Structure, 1222 (2020) 128916.
  • [32] Khadse SC, Amnerkar ND, Dave MU, Lokwani DK, Patil RR, Ugale VG, Charbe NB, Chatpalliwar VA. Quinazolin-4-one derivatives lacking toxicity-producing attributes as glucokinase activators: design, synthesis, molecular docking, and in-silico ADMET prediction, Future Journal of Pharmaceutical Sciences, 5 (2019) 1-4.
  • [33] Grewal AS, Kharb R, Prasad DN, Dua JS, Lather V. N‐pyridin‐2‐yl benzamide analogues as allosteric activators of glucokinase: Design, synthesis, in vitro, in silico and in vivo evaluation, Chemical Biology & Drug Design, 93 (2019) 364-372.
  • [34] Charaya N, Pandita D, Grewal AS, Lather V. Design, synthesis and biological evaluation of novel thiazol-2-yl benzamide derivatives as glucokinase activators, Computational Biology and Chemistry, 73 (2018) 221-229.
  • [35] Kohn TJ, Du X, Lai S, Xiong Y, Komorowski R, Veniant M, Fu Z, Jiao X, Pattaropong V, Chow D, Cardozo M. 5-Alkyl-2-urea-substituted pyridines: identification of efficacious glucokinase activators with improved properties, ACS Medicinal Chemistry Letters, 7 (2016) 666-670.
  • [36] Kaur A, Thakur S, Deswal G, Chopra B, Dhingra AK, Guarve K, Grewal AS. In silico docking based screening of constituents from Persian shallot as modulators of human glucokinase, Journal of Diabetes & Metabolic Disorders, 22 (2023) 547-570.
  • [37] YANG W. 860-P: Evaluation of Efficacy and Safety of Glucokinase Activators-A Systematic Review and Meta-analysis, Diabetes, 72 (2023) 860.
  • [38] Ren Y, Li L, Wan L, Huang Y, Cao S. Glucokinase as an emerging anti-diabetes target and recent progress in the development of its agonists, Journal of Enzyme Inhibition & Medicinal Chemistry, 37 (2022) 606-615.
  • [39] Gao Q, Zhang W, Li T, Yang G, Zhu W, Chen N, Jin H. The efficacy and safety of glucokinase activators for the treatment of type-2 diabetes mellitus: a meta-analysis, Medicine, 100 (2021) 40.
  • [40] Liu J, Fu H, Kang F, Ning G, Ni Q, Wang W, Wang Q. β‐Cell glucokinase expression was increased in type 2 diabetes subjects with better glycemic control. Journal of Diabetes. 15 (2023) 409-418.
  • [41] Paliwal A, Paliwal V, Jain S, Paliwal S, Sharma S. Current Insight on the Role of Glucokinase and Glucokinase Regulatory Protein in Diabetes, Mini Reviews in Medicinal Chemistry, 24 (2023) 674-688.
  • [42] Chakera AJ, Steele AM, Gloyn AL, Shepherd MH, Shields B, Ellard S, et al. Recognition and management of individuals with hyperglycemia because of a heterozygous glucokinase mutation, Diabetes Care, 38 (2015) 1383–1392.
  • [43] Song L, Cao F, Niu S, Xu M, Liang R, Ding K, Lin Z, Yao X, Liu D. Population Pharmacokinetic/Pharmacodynamic Analysis of the Glucokinase Activator PB201 in Healthy Volunteers and Patients with Type 2 Diabetes Mellitus: Facilitating the Clinical Development of PB201 in China, Clinical Pharmacokinetics, 63 (2024) 93-108.
  • [44] Kazi AA, Chatpalliwar VA. Design, Synthesis, Molecular Docking and In vitro Biological Evaluation of Benzamide Derivatives as Novel Glucokinase Activators, Current Enzyme Inhibition, 18 (2022) 61-75.
  • [45] Kamata K, Mitsuya M, Nishimura T, Eiki JI, Nagata Y. Structural basis for allosteric regulation of the monomeric allosteric enzyme human glucokinase, Structure, 12 (2004) 429-438.
  • [46] Taherkhani A, Orangi A, Moradkhani S, Khamverdi Z. Molecular docking analysis of flavonoid compounds with matrix metalloproteinase-8 for the identification of potential effective inhibitors, Letters in Drug Design & Discovery, 18 (2021) 16-45.
  • [47] Souza PF, Lopes FE, Amaral JL, Freitas CD, Oliveira JT. A molecular docking study revealed that synthetic peptides induced conformational changes in the structure of SARS-CoV-2 spike glycoprotein, disrupting the interaction with human ACE2 receptor, International Journal of Biological Macromolecules, 164 (2020) 66-76.
  • [48] Mhaske GS, Sen AK, Shah A, Khiste RH, Dale AV, Sen DB. In Silico Identification of Novel Quinoline-3-carboxamide Derivatives Targeting Platelet-Derived Growth Factor Receptor, Current Cancer Therapy Reviews, 18 (2022) 131-142.
  • [49] Tabassum H, Ahmad IZ. Molecular docking and dynamics simulation analysis of thymoquinone and thymol compounds from Nigella sativa L. that inhibit cag A and Vac A oncoprotein of helicobacter pylori: Probable treatment of H. pylori Infections, Medicinal Chemistry, 17 (2021) 146-157.
  • [50] Athalye M, Teli D, Sharma A, Patel M. Anti‐Epileptic Drug‐Lipid Conjugates for Delivery to the Brain: In Silico ADMET Prediction, Molecular Docking and Molecular Dynamics Simulations, ChemistrySelect, 8 (2023) e202301701.
  • [51] Institute of Materia Medica, Chinese Academy of Medical Sciences. Preparation of thiazolidinedione derivatives as dual agonists of glucokinase and peroxisome proliferator-activated receptors. CN102558167; 2012.
  • [52] Cadila Healthcare Limited, Zydus Tower, Gujarat. Disubstituted benzamide derivatives as glucokinase (gk) activators. WO2010150280; 2010.
  • [53] Cadila Healthcare Limited, Zydus Tower, Gujarat. Substituted benzamide derivatives as glucokinase (gk) activators. WO2011013141; 2011.
  • [54] Yasuma T, Ujikawa O. Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity. US8957070B2, 2015.
  • [55] Lin S Dewnani S, Kats-kagan R, Zhang R. Glucokinase Activators. WO2014099578A1, 2014.
  • [56] Grewal AS, Arora S, Sharma N, Singh S. In silico docking studies of compounds from Persian shallot as allosteric glucokinase activators, Plant Arch, 20 (2020) 3768-3771.
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Toplam 58 adet kaynakça vardır.

Ayrıntılar

Birincil Dil İngilizce
Konular Fotokimya, Moleküler Görüntüleme
Bölüm Research Article
Yazarlar

Anuradha Mehra 0000-0002-7405-8809

Pankaj Wadhwa

Amit Mittal 0000-0001-9689-1642

Aryan Mehra 0000-0002-7405-8809

Proje Numarası Not Applicable
Erken Görünüm Tarihi 5 Mart 2024
Yayımlanma Tarihi 19 Eylül 2024
Gönderilme Tarihi 5 Kasım 2023
Kabul Tarihi 4 Şubat 2024
Yayımlandığı Sayı Yıl 2024 Cilt: 8 Sayı: 3

Kaynak Göster

APA Mehra, A., Wadhwa, P., Mittal, A., Mehra, A. (2024). Molecular design and virtual screening of novel heterocyclic derivatives as Glucokinase activators. Turkish Computational and Theoretical Chemistry, 8(3), 74-98. https://doi.org/10.33435/tcandtc.1386285
AMA Mehra A, Wadhwa P, Mittal A, Mehra A. Molecular design and virtual screening of novel heterocyclic derivatives as Glucokinase activators. Turkish Comp Theo Chem (TC&TC). Eylül 2024;8(3):74-98. doi:10.33435/tcandtc.1386285
Chicago Mehra, Anuradha, Pankaj Wadhwa, Amit Mittal, ve Aryan Mehra. “Molecular Design and Virtual Screening of Novel Heterocyclic Derivatives As Glucokinase Activators”. Turkish Computational and Theoretical Chemistry 8, sy. 3 (Eylül 2024): 74-98. https://doi.org/10.33435/tcandtc.1386285.
EndNote Mehra A, Wadhwa P, Mittal A, Mehra A (01 Eylül 2024) Molecular design and virtual screening of novel heterocyclic derivatives as Glucokinase activators. Turkish Computational and Theoretical Chemistry 8 3 74–98.
IEEE A. Mehra, P. Wadhwa, A. Mittal, ve A. Mehra, “Molecular design and virtual screening of novel heterocyclic derivatives as Glucokinase activators”, Turkish Comp Theo Chem (TC&TC), c. 8, sy. 3, ss. 74–98, 2024, doi: 10.33435/tcandtc.1386285.
ISNAD Mehra, Anuradha vd. “Molecular Design and Virtual Screening of Novel Heterocyclic Derivatives As Glucokinase Activators”. Turkish Computational and Theoretical Chemistry 8/3 (Eylül 2024), 74-98. https://doi.org/10.33435/tcandtc.1386285.
JAMA Mehra A, Wadhwa P, Mittal A, Mehra A. Molecular design and virtual screening of novel heterocyclic derivatives as Glucokinase activators. Turkish Comp Theo Chem (TC&TC). 2024;8:74–98.
MLA Mehra, Anuradha vd. “Molecular Design and Virtual Screening of Novel Heterocyclic Derivatives As Glucokinase Activators”. Turkish Computational and Theoretical Chemistry, c. 8, sy. 3, 2024, ss. 74-98, doi:10.33435/tcandtc.1386285.
Vancouver Mehra A, Wadhwa P, Mittal A, Mehra A. Molecular design and virtual screening of novel heterocyclic derivatives as Glucokinase activators. Turkish Comp Theo Chem (TC&TC). 2024;8(3):74-98.

Cited By

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https://doi.org/10.1080/20468954.2024.2389762

Journal Full Title: Turkish Computational and Theoretical Chemistry


Journal Abbreviated Title: Turkish Comp Theo Chem (TC&TC)