Article
Biochemistry & Molecular Biology
Bhumi M. Shah, Palmi Modi, Priti Trivedi
Summary: Pharmacophore modeling, molecular docking, and in silico ADME studies were conducted to determine the binding mode and drug likeliness profile of Pyrrolidine derivatives as Dipeptidyl peptidase IV inhibitors. A statistically significant 3D-QSAR model was generated, with high correlation and predictive capability, indicating potential for novel drug design.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Agriculture, Multidisciplinary
Tian Wenhui, Hu Shumin, Zhuang Yongliang, Sun Liping, Yin Hua
Summary: This study established a rapid screening method for bioactive peptides from Tsingtao draft beer, identified two ACE and DPP-IV inhibitory peptides, and analyzed their mechanism of action.
JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE
(2022)
Article
Chemistry, Physical
Jaya P. Ambhore, Purushottam R. Laddha, Anjali Nandedkar, Prashant V. Ajmire, Deshraj S. Chumbhale, Ashish B. Navghare, Vitthal G. Kuchake, Prashant J. Chaudhari, Vaibhav S. Adhao
Summary: Nowadays, Dipeptidyl peptidase-IV (DPP-IV) has emerged as a promising drug target for the treatment of Type 2 diabetes mellitus (T2DM). Currently available DPP-IV inhibitors effectively lower blood glucose levels in T2DM patients without causing common side effects such as hypoglycemia, weight gain, and gastrointestinal disturbances. This review focuses on the molecular insights, recent developments in design and discovery, and structure-activity relationships of potential DPP-IV inhibitors.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Medicinal
Hong-Hong Ma, Jing Zhang, Ci-Qin Li, Li-Wei Zou
Summary: Dipeptidyl peptidase IV (DPP-IV) inhibitory activity of natural anthraquinones was studied using fluorescence-based biochemical assays. Alizarin, aloe emodin, and emodin showed the strongest inhibitory potential. Further investigation revealed that some compounds could inhibit DPP-IV through non-competitive and mixed mechanisms. These findings provide new insights for the search and development of potential antidiabetic compounds.
Article
Biochemistry & Molecular Biology
Jyuhn-Huarng Juang, Chen-Yi Chen, Chen-Wei Kao, Yu-Wen Huang, Tai-Yu Chiu, Chiung-Tong Chen
Summary: The study found that the DPP-IV inhibitor LAF237 can improve glucose tolerance and increase graft beta-cell mass in diabetic mice transplanted with a sufficient number of islets. This suggests that the effects of DPP-IV inhibitors are influenced by the implanted islet mass.
BIOMEDICAL JOURNAL
(2021)
Article
Biochemistry & Molecular Biology
Shweta Sharma, Shubham Srivastav, Garima Singh, Smrita Singh, Ruchi Malik, Mohammad Mumtaz Alam, Mohammad Shaqiquzamman, Shakir Ali, Mymoona Akhter
Summary: This study presents the identification of novel DPP-IV inhibitors using a combination of validated computational methods. Among the compounds analyzed, KB-10 showed promising DPP-IV inhibition both in vitro and in vivo. The research demonstrates the potential of these techniques for efficient screening of compounds with unknown affinity for DPP-IV, which could serve as candidates for therapeutic development.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Endocrinology & Metabolism
B. R. Yang, S. H. Cha, K. E. Lee, J. W. Kim, J. Lee, K-H Shin
Summary: The study found that in patients with type 2 diabetes, DPP-IV inhibitors do not increase the risk of osteoporosis compared to sulfonylureas, while a weak association was found between thiazolidinediones and increased risk of osteoporosis.
OSTEOPOROSIS INTERNATIONAL
(2021)
Article
Food Science & Technology
Wei Wang, Xiaoqing Liu, Yiju Li, Haixi You, Zhipeng Yu, Liying Wang, Xuebo Liu, Long Ding
Summary: In this study, different enzymes and simulated digestion were used to investigate the DPP-IV inhibitory activities of oat protein hydrolysates. Neutrase was found to produce oat protein hydrolysate with the most potent DPP-IV inhibitory property, and ten new DPP-IV inhibitory peptides were identified. Molecular docking experiments further confirmed the interaction between these peptides and DPP-IV. Therefore, oat could be a promising source of dietary supplement for type 2 diabetes mellitus (T2DM).
Article
Food Science & Technology
Juan Wang, Yujia Xie, Yuanyuan Luan, Tingting Guo, Shanshan Xiao, Xingxing Zeng, Shaohui Zhang
Summary: The objective of this study was to isolate and identify intracellular bioactive peptides from mouse lymphocytes before and after lipopolysaccharide (LPS) stimulation. A total of 131 novel peptides were discovered, and their bioactivity and function were predicted. Two peptides with better inhibition activity were verified.
FOOD SCIENCE AND HUMAN WELLNESS
(2022)
Article
Immunology
Zhicheng Zheng, Peiyu Liang, Baohua Hou, Xin Lu, Qianwen Ma, Xiaomin Yu, Song Han, Biwen Peng, Taoxiang Chen, Wanhong Liu, Jun Yin, Xiaohua He
Summary: The study revealed that DPP4 is involved in DAM conversion and epilepsy, and treatment with DPP4 inhibitor sitagliptin can alleviate epilepsy and promote DAM phenotypic transformation, resulting in enhanced morphological features and functions of microglia.
JOURNAL OF NEUROINFLAMMATION
(2021)
Article
Food Science & Technology
Haixi You, Yu Zhang, Tianliang Wu, Juanrui Li, Liying Wang, Zhipeng Yu, Jingbo Liu, Xuebo Liu, Long Ding
Summary: This study aimed to investigate the DPP-IV inhibitory peptides from rapeseed proteins. The results showed that rapeseed protein hydrolysates had DPP-IV inhibitory activities. In silico approach was used to select potential DPP-IV inhibitory peptides and 12 of them were determined to have inhibitory activities. Four peptides (IPK, LPR, VPHL, and IPNQT) were identified from rapeseed protein hydrolysate, with IPK exhibiting the highest inhibitory activity. IPK acted as a competitive inhibitor and interacted with specific residues in the S1 and S2 pockets of DPP-IV. These findings suggest that rapeseed proteins are a valuable source of DPP-IV inhibitory peptides for the management of type 2 diabetes.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2022)
Article
Endocrinology & Metabolism
Hiroki Teragawa, Takeshi Morimoto, Yuichi Fujii, Tomohiro Ueda, Mio Sakuma, Michio Shimabukuro, Osamu Arasaki, Koichi Node, Takashi Nomiyama, Shinichiro Ueda
Summary: This study investigated the effects of two types of DPP-4 inhibitors on renal function in patients with type 2 diabetes. The results showed that both drugs significantly reduced eGFR levels, but only SITA group had an elevation in UACR levels. The difference in eGFR was influenced by differences in HbA1c levels and BP, while the difference in UACR was influenced by differences in LDL-C levels and BP, which were reduced only in the ANA group.
DIABETES METABOLIC SYNDROME AND OBESITY-TARGETS AND THERAPY
(2022)
Article
Food Science & Technology
Chaoyan Wu, Cheng Yang, Yuqin Wang, Jun Wang, Jiaying Zhu
Summary: In this study, the molecular characteristics and possible functions of SgVnDPPIV, a proline-specific serine peptidase found in the venom of Scleroderma guani, were investigated. The gene encoding SgVnDPPIV was cloned and the recombinant protein showed high enzymatic activity. Functional analysis revealed the effects of SgVnDPPIV on detoxification, lipid synthesis and metabolism, response to stimuli, and ion exchange in the envenomated host.
Article
Chemistry, Medicinal
Reema Abu Khalaf, Haya Abu Jarad, Tariq Al-Qirim, Dima Sabbah
Summary: This study synthesized and evaluated seven piperazine derivatives for their hypoglycemic activity, with one compound showing significant reduction in blood glucose levels. In vitro studies demonstrated high DPP-IV inhibitory activity for these compounds, potentially serving as promising precursors for new DPP-IV inhibitors.
MEDICINAL CHEMISTRY
(2021)
Article
Plant Sciences
Bo-Ram Kim, Sunil Babu Paudel, Ah-Reum Han, Jisu Park, Yun-Seo Kil, Hyukjae Choi, Yeo Gyeong Jeon, Kong Young Park, Si-Yong Kang, Chang Hyun Jin, Jin-Baek Kim, Joo-Won Nam
Summary: The study systematically characterized the phytochemical profiles of C. rosea and C. verticillata using ultra-performance liquid chromatography time-of-flight mass spectrometry, and evaluated their anti-diabetic effects through the dipeptidyl peptidase (DPP)-IV inhibitor screening assay. The research identified 40 compounds, with 13 compounds potentially serving as markers for distinguishing among the 32 Coreopsis cultivars. The bio-chemometric models developed in the study could be beneficial in differentiating cultivars as potential dietary supplements for functional plants.
Article
Biochemistry & Molecular Biology
Nuria Estanyol-Torres, Cristina Domenech-Coca, Raul Gonzalez-Dominguez, Antonio Minarro, Ferran Reverter, Jose Antonio Moreno-Munoz, Jesus Jimenez, Manel Martin-Palomas, Pol Castellano-Escuder, Hamza Mostafa, Santi Garcia-Vallve, Nerea Abasolo, Miguel A. Rodriguez, Helena Torrell, Josep M. del Bas, Alex Sanchez-Pla, Antoni Caimari, Anna Mas-Capdevila, Cristina Andres-Lacueva, Anna Crescenti
Summary: The study aimed to evaluate the effects of a mixture of four dietary fibers on obese rats. The results showed that the fiber mixture significantly reduced body weight, adiposity, HbA1c, and HDL-cholesterol levels in the rats. It also improved energy expenditure, fat oxidation, and intestinal health, while reducing adiponectin and LPS levels. The intervention effect was observed at the metabolomic, metagenomic, and transcriptomic levels.
JOURNAL OF NUTRITIONAL BIOCHEMISTRY
(2023)
Review
Biochemistry & Molecular Biology
Elia Navarro-Masip, Alexandre Caron, Miquel Mulero, Lluis Arola, Gerard Aragones
Summary: Energy homeostasis and metabolism in mammals are influenced by seasonal changes, with variations in photoperiod patterns driving adaptations in body weight and adiposity. Humans also show distinct patterns of energy balance depending on the season, being more susceptible to weight gain during specific times of the year. Changes in body weight are mainly reflected in adipose tissue, which is highly affected by circannual rhythms. These metabolic adaptations involve molecular modifications and disruptions in the seasonal responses are associated with increased risk of obesity.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Plant Sciences
Alvaro Cruz-Carrion, Ma Josefina Ruiz de Azua, Begona Muguerza, Miquel Mulero, Francisca Isabel Bravo, Anna Arola-Arnal, Manuel Suarez
Summary: A study compared thirteen plant-based foods cultivated in organic (ORG) and non-organic (NORG) farming systems in terms of antioxidant capacity and phenolic compound content. The results showed that NORG fruits had higher phenolic compounds content, while ORG fruits had more antioxidant capacity. NORG legume stood out for having higher values from all parameters analyzed. ORG nuts had higher flavan-3-ols and flavonols content but lower antioxidant capacity compared to their NORG counterparts. ORG vegetables displayed higher phenolics and anthocyanins content, resulting in higher antioxidant capacity than NORG ones. These findings suggest that farming systems modulate phenolic compound composition and antioxidant capacity based on the plant species studied.
Editorial Material
Biochemistry & Molecular Biology
Isabel Quintana, Mariona Terradas, Pilar Mur, Iris B. A. W. te Paske, Sophia Peters, Isabel Spier, Verena Steinke-Lange, Claudia Maestro, David Torrents, Montserrat Puiggros, Romina Royo, Raul Tonda, Genis Parra, Davide Piscia, Sergi Beltran, Matilde Navarro, Virginia Pinol, Joan Brunet, Noemi Gonzalez-Abuin, Gemma Aiza, Anna Sommer, Yasmijn van Herwaarden, Galuh Astuti, Elke Holinski-Feder, Nicoline Hoogerbrugge, Richarda M. de Voer, Stefan Aretz, Gabriel Capella, Laura Valle
Article
Biochemistry & Molecular Biology
Alba Miguens-Gomez, Marta Sierra-Cruz, M. Teresa Blay, Esther Rodriguez-Gallego, Raul Beltran-Debon, Ximena Terra, Montserrat Pinent, Anna Ardevol
Summary: The impact of healthy aging on society has generated interest in studying aging mechanisms, yet the effects of this process on the gastrointestinal tract are not fully understood. Controversial results have been found regarding changes in the enteroendocrine system along the gastrointestinal tract. Grape seed proanthocyanidin extracts (GSPE) have been shown to protect against aging-related pathologies. In this study, researchers hypothesized that GSPE pre-treatment could prevent aging processes affecting the enteroendocrine system. By treating aged rats with GSPE, they found that the expression of enterohormones in the colon was preserved, suggesting that GSPE may be effective in preventing decreased enterohormone expression induced by aging.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Sarah Fadlallah, Carme Julia, Santiago Garcia-Vallve, Gerard Pujadas, Francesc Serratosa
Summary: Predicting the potency of a drug in inhibiting the SARS-CoV-2 main protease (M-pro) would greatly aid the virtual screening process. The most promising compounds could be further investigated and improved. Our computational method, based on a three-step process, accurately predicts drug potency by defining the drug and protein in a 3D structure, employing graph autoencoder techniques to generate a latent vector, and using a classical fitting model to predict potency. Experimental results on a database of 160 drug-M-pro pairs confirmed the high accuracy of our method in predicting drug potency, with the pIC50 computation taking only a few seconds on a personal computer. Therefore, we have successfully developed a cost-effective and rapid computational tool for predicting pIC50, which can prioritize virtual screening hits and will be further validated in vitro.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Bryan Saldivar-Espinoza, Pol Garcia-Segura, Nil Novau-Ferre, Guillem Macip, Ruben Martinez, Pere Puigbo, Adria Cereto-Massague, Gerard Pujadas, Santiago Garcia-Vallve
Summary: Mutation research is crucial for detecting and treating SARS-CoV-2 and developing vaccines. This study analyzed over 5,300,000 sequences from SARS-CoV-2 genomes and identified the mutational landscape of the virus. The prevalence and characteristics of mutations varied among different genes, highlighting the importance of ongoing monitoring.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Food Science & Technology
Veronica Arreaza-Gil, Ivan Escobar-Martinez, Miquel Mulero, Begona Muguerza, Manuel Suarez, Anna Arola-Arnal, Cristina Torres-Fuentes
Summary: This study evaluates the influence of different photoperiod exposures on the bioavailability of grape seed proanthocyanidins (GSPEs) extract and found that photoperiods affect its bioavailability. Moreover, photoperiods also influence the gut microbiota composition and the bioavailability of polyphenols in the body, which in turn affects the health effects of obesity.
MOLECULAR NUTRITION & FOOD RESEARCH
(2023)
Article
Food Science & Technology
Anna Valentina Luparelli, Alba Miguens-Gomez, Anna Ardevol, Stefano Sforza, Augusta Caligiani, Montserrat Pinent
Summary: In this study, we investigated the effects of gastrointestinal digested black soldier fly (BSF) prepupae on GLP-1 and DPP-IV. The results showed that these digested proteins have a high ability to stimulate GLP-1 secretion and inhibit DPP-IV enzyme activity in human cells. Furthermore, optimizing diets or fermentation processes did not improve the efficacy of the answer. The bioactivity of BSF on glycaemic control systems after simulated digestion makes it even more promising as a suitable edible insect for human consumption.
Article
Biochemistry & Molecular Biology
Mariona Terradas, Noemi Gonzalez-Abuin, Sandra Garcia-Mulero, Julen Viana-Errasti, Gemma Aiza, Josep M. Piulats, Joan Brunet, Gabriel Capella, Laura Valle
Summary: Germline mutations in MBD4 cause an autosomal recessive syndrome characterized by increased risk of acute myeloid leukemia, gastrointestinal polyposis, colorectal cancer, uveal melanoma, and schwannomas. However, a study of 728 patients with colorectal cancer, polyposis, and other suggestive phenotypes found that the identified heterozygous MBD4 variants were not associated with the disease.
EUROPEAN JOURNAL OF HUMAN GENETICS
(2023)
Article
Biochemistry & Molecular Biology
Doretta Cuffaro, Aleix Gimeno, Bianca Laura Bernardoni, Riccardo Di Leo, Gerard Pujadas, Santiago Garcia-Vallve, Susanna Nencetti, Armando Rossello, Elisa Nuti
Summary: Scientists developed a virtual screening workflow to identify selective non-zinc-binding MMP-13 inhibitors by targeting its specific structural features. Three ligands that could inhibit MMP-13 in the micromolar range were discovered, and one of them showed selectivity over other MMPs. Structure-based analysis guided the chemical optimization, resulting in a new N-acyl hydrazone-based derivative with improved inhibitory activity and selectivity for the target enzyme.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Antonio J. Cortes-Espinar, Nestor Ibarz-Blanch, Jorge R. Soliz-Rueda, Beatrice Bonafos, Christine Feillet-Coudray, Francois Casas, Francisca Isabel Bravo, Enrique Calvo, Javier Avila-Roman, Miquel Mulero
Summary: Polyphenols play a key role in regulating circadian rhythms, while the cafeteria diet disrupts liver biological rhythm and increases ROS production. This study investigated the effects of grape seed proanthocyanidin extract (GSPE) on restoring the antioxidant balance and circadian rhythm in rats fed a cafeteria diet. GSPE treatment recovered the disrupted circadian rhythm, increased the peak expression of Sod1, and corrected altered hepatic metabolites. The timing of GSPE administration also showed a chronotherapeutic effect on its antioxidant properties.
Article
Biochemistry & Molecular Biology
Jorge R. Soliz-Rueda, Raul Lopez-Fernandez-Sobrino, Cristina Torres-Fuentes, Francisca I. Bravo, Manuel Suarez, Miquel Mulero, Begona Muguerza
Summary: Changes in light/dark cycles and obesogenic diets are related to the disruption of circadian rhythms and metabolic disorders. Grape seed flavanols have shown beneficial effects on metabolic diseases and recently a circadian system modulation has been suggested to mediate their health-enhancing properties.