Anti-Obesity Therapeutic Targets Studied In Silico and In Vivo: A Systematic Review

被引:5
作者
de Medeiros, Wendjilla F. [1 ]
Gomes, Ana Francisca T. [1 ]
Aguiar, Ana Julia F. C. [2 ]
de Queiroz, Jaluza Luana C. [2 ]
Bezerra, Ingrid Wilza L. [1 ,3 ]
da Silva-Maia, Juliana Kelly [1 ,3 ]
Piuvezam, Grasiela [4 ,5 ]
Morais, Ana Heloneida de A. [1 ,2 ,3 ]
机构
[1] Univ Fed Rio Grande do Norte, Ctr Hlth Sci, Nutr Postgrad Program, BR-59078900 Natal, Brazil
[2] Univ Fed Rio Grande do Norte, Biosci Ctr, Biochem & Mol Biol Postgrad Program, BR-59078970 Natal, Brazil
[3] Univ Fed Rio Grande do Norte, Ctr Hlth Sci, Dept Nutr, BR-59078900 Natal, Brazil
[4] Univ Fed Rio Grande do Norte, Ctr Hlth Sci, Publ Hlth Postgrad Program, BR-59078400 Natal, Brazil
[5] Univ Fed Rio Grande do Norte, Publ Hlth Dept, BR-59078900 Natal, Brazil
关键词
computer simulation; molecular dynamics simulation; molecular docking simulation; peptides; molecular conformation; obesity; ACTIVATED PROTEIN-KINASE; FOOD-INTAKE; MOLECULAR DOCKING; FATTY-ACID; OBESITY; PHOSPHORYLATION; METAANALYSIS; DESIGN; TOOLS;
D O I
10.3390/ijms25094699
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
In the age of information technology and the additional computational search tools and software available, this systematic review aimed to identify potential therapeutic targets for obesity, evaluated in silico and subsequently validated in vivo. The systematic review was initially guided by the research question "What therapeutic targets have been used in in silico analysis for the treatment of obesity?" and structured based on the acronym PECo (P, problem; E, exposure; Co, context). The systematic review protocol was formulated and registered in PROSPERO (CRD42022353808) in accordance with the Preferred Reporting Items Checklist for Systematic Review and Meta-Analysis Protocols (PRISMA-P), and the PRISMA was followed for the systematic review. The studies were selected according to the eligibility criteria, aligned with PECo, in the following databases: PubMed, ScienceDirect, Scopus, Web of Science, BVS, and EMBASE. The search strategy yielded 1142 articles, from which, based on the evaluation criteria, 12 were included in the systematic review. Only seven these articles allowed the identification of both in silico and in vivo reassessed therapeutic targets. Among these targets, five were exclusively experimental, one was exclusively theoretical, and one of the targets presented an experimental portion and a portion obtained by modeling. The predominant methodology used was molecular docking and the most studied target was Human Pancreatic Lipase (HPL) (n = 4). The lack of methodological details resulted in more than 50% of the papers being categorized with an "unclear risk of bias" across eight out of the eleven evaluated criteria. From the current systematic review, it seems evident that integrating in silico methodologies into studies of potential drug targets for the exploration of new therapeutic agents provides an important tool, given the ongoing challenges in controlling obesity.
引用
收藏
页数:24
相关论文
共 83 条
  • [1] AbuElheiga L, 1997, J BIOL CHEM, V272, P10669
  • [2] Leptin resensitisation: a reversion of leptin-resistant states
    Andreoli, Marfa F.
    Donato Jr, Jose
    Cakir, Isin
    Perello, Mario
    [J]. JOURNAL OF ENDOCRINOLOGY, 2019, 241 (03) : R81 - R96
  • [3] Cannabinoid CB1 Receptors Inhibit Gut-Brain Satiation Signaling in Diet-Induced Obesity
    Argueta, Donovan A.
    Perez, Pedro A.
    Makriyannis, Alexandros
    DiPatrizio, Nicholas, V
    [J]. FRONTIERS IN PHYSIOLOGY, 2019, 10
  • [4] Obesity and cancer risk: Emerging biological mechanisms and perspectives
    Avgerinos, Konstantinos, I
    Spyrou, Nikolaos
    Mantzoros, Christos S.
    Dalamaga, Maria
    [J]. METABOLISM-CLINICAL AND EXPERIMENTAL, 2019, 92 : 121 - 135
  • [5] A Structure-Based Drug Discovery Paradigm
    Batool, Maria
    Ahmad, Bilal
    Choi, Sangdun
    [J]. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2019, 20 (11)
  • [6] Bays Harold E, 2022, Obes Pillars, V2, P100018, DOI 10.1016/j.obpill.2022.100018
  • [7] Antiobesity and lipid lowering effects of Glycyrrhiza chalcones: Experimental and computational studies
    Birari, Rahul B.
    Gupta, Shikhar
    Mohan, C. Gopi
    Bhutani, Kamlesh K.
    [J]. PHYTOMEDICINE, 2011, 18 (8-9) : 795 - 801
  • [8] RCSB Protein Data Bank: Celebrating 50 years of the PDB with new tools for understanding and visualizing biological macromolecules in 3D
    Burley, Stephen K.
    Bhikadiya, Charmi
    Bi, Chunxiao
    Bittrich, Sebastian
    Chen, Li
    Crichlow, Gregg, V
    Duarte, Jose M.
    Dutta, Shuchismita
    Fayazi, Maryam
    Feng, Zukang
    Flatt, Justin W.
    Ganesan, Sai J.
    Goodsell, David S.
    Ghosh, Sutapa
    Green, Rachel Kramer
    Guranovic, Vladimir
    Henry, Jeremy
    Hudson, Brian P.
    Lawson, Catherine L.
    Liang, Yuhe
    Lowe, Robert
    Peisach, Ezra
    Persikova, Irina
    Piehl, Dennis W.
    Rose, Yana
    Sali, Andrej
    Segura, Joan
    Sekharan, Monica
    Shao, Chenghua
    Vallat, Brinda
    Voigt, Maria
    Westbrook, John D.
    Whetstone, Shamara
    Young, Jasmine Y.
    Zardecki, Christine
    [J]. PROTEIN SCIENCE, 2022, 31 (01) : 187 - 208
  • [9] Computational Methods in Cooperation with Experimental Approaches to Design Protein Tyrosine Phosphatase 1B Inhibitors in Type 2 Diabetes Drug Design: A Review of the Achievements of This Century
    Campos-Almazan, Mara Ibeth
    Hernandez-Campos, Alicia
    Castillo, Rafael
    Sierra-Campos, Erick
    Valdez-Solana, Monica
    Avitia-Dominguez, Claudia
    Tellez-Valencia, Alfredo
    [J]. PHARMACEUTICALS, 2022, 15 (07)
  • [10] Oligosaccharide and short-chain fatty acid: A double-edged sword in obese mice by regulating food intake and fat synthesis
    Chen, Kaiyang
    Hu, Meimei
    Tang, Ming
    Gao, Congcong
    Wang, Haikuan
    Man, Shuli
    Lu, Fuping
    [J]. FOOD RESEARCH INTERNATIONAL, 2022, 159