Article
Biochemistry & Molecular Biology
Rahul D. Jawarkar, Magdi E. A. Zaki, Sami A. Al-Hussain, Aamal A. Al-Mutairi, Abdul Samad, Nobendu Mukerjee, Arabinda Ghosh, Vijay H. Masand, Long Chiau Ming, Summya Rashid
Summary: Due to the high risk of drug development failure and the huge costs involved, repurposing existing drugs has become more popular. In this study, QSAR modelling was used to identify structural features necessary for ACE2 inhibitory activity. The developed model yielded previously undisclosed features and provided novel mechanistic interpretations. The QSAR model predicted the ACE2 inhibitory activity of 1615 compounds, leading to the discovery of a potential hit molecule with significant inhibitory activity.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Sapan Shah, Dinesh Chaple, Vijay H. Masand, Magdi E. A. Zaki, Sami A. Al-Hussain, Ashish Shah, Sumit Arora, Rahul Jawarkar, Mohammad Tauqeer
Summary: Cardiovascular diseases (CVD) affect millions of people worldwide and are a leading cause of death. In this study, a genetic algorithm-multiple linear regressions (GA-MLR) method was used to develop predictive quantitative structure-activity relationships (QSAR) models for angiotensin-converting enzyme (ACE) inhibitors. These models correlated structural features necessary for ACE inhibition using a dataset of 255 diverse ACE inhibitors. The study also utilized molecular docking to identify potential lead molecules from a database of thiadiazole derivatives.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Food Science & Technology
Mingzhe Ma, Yinghui Feng, Yulu Miao, Qiang Shen, Shuting Tang, Juan Dong, John Z. H. Zhang, Lujia Zhang
Summary: Chronic diseases, such as hypertension, have detrimental effects on human health. Conventional drugs for treatment often come with significant side effects. Food-sourced ACE inhibitory peptides provide a safer alternative, with fewer side effects. However, the lack of a systematic and effective screening method and understanding of the sequence characteristics and molecular mechanisms hinder the development of ACE inhibitory peptides.
Article
Food Science & Technology
Luis Jorge Coronado-Caceres, Blanca Hernandez-Ledesma, Luis Mojica, Lucia Quevedo-Corona, Griselda Rabadan-Chavez, Gustavo Adolfo Castillo-Herrera, Eugenia Lugo Cervantes
Summary: This study found that cocoa proteins have the potential to lower blood pressure by blocking ACE, indicating their potential use as an ingredient in the development of functional foods for hypertension management.
Article
Biochemistry & Molecular Biology
Xin-Xin Han, Yun-Qin Jia, Chun-Yu Liu, Hao-Yu Wang, Zhen-Yuan Zhu
Summary: In this study, three novel ACE-inhibitory peptides were prepared from Small-Aroma Chicken breast and showed significant inhibitory activity. The mechanism of inhibition and binding free energies were also investigated.
PROCESS BIOCHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Seok-Chun Ko, Ji-Yul Kim, Jeong Min Lee, Mi-Jin Yim, Hyun-Soo Kim, Gun-Woo Oh, Chul Hwan Kim, Nalae Kang, Soo-Jin Heo, Kyunghwa Baek, Dae-Sung Lee
Summary: This study aimed to investigate the ACE-inhibitory effects of meroterpenoids isolated from the brown alga, Sargassum macrocarpum, and their molecular mechanisms. The results showed that meroterpenoids from S. macrocarpum exhibited strong ACE-inhibition, mainly attributed to the interactions between meroterpenoids and ACE. These findings suggest that S. macrocarpum could be a potential source for manufacturing antihypertensive nutraceutical ingredients.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Nutrition & Dietetics
Yu Chen, Yu Zhang, Qianhui Qi, Feng Liang, Nan Wang, Qihe Chen, Xue Li, Suling Sun, Xinquan Wang, Kaiwen Bai, Wei Wang, Yingchun Jiao
Summary: The key factors affecting the ACE inhibition rate in mulberry leaf protein hydrolysate and the optimum conditions of enzymatic hydrolysis were determined. ACE-inhibitory peptides were purified from the hydrolysates and their interaction mechanisms with ACE were analyzed. The results showed that these peptides had potential activities to inhibit ACE and could be used as functional food or drugs.
FRONTIERS IN NUTRITION
(2023)
Article
Biology
Monica A. Valdez-Solana, Ivan A. Corral-Guerrero, Alfredo Tellez-Valencia, Claudia Avitia-Dominguez, Jorge A. Meza-Velazquez, Atahualpa Guzman de Casa, Erick Sierra-Campos
Summary: The study evaluated the antihypertensive properties of Cordyceps militaris extract and found that it exhibited a high inhibitory effect on ACE, potentially serving as a natural ACE inhibitor.
Article
Food Science & Technology
Uriel Urbizo-Reyes, Andrea M. Liceaga, Lavanya Reddivari, Kee-Hong Kim, Joseph M. Anderson
Summary: This study evaluated the bioactivity of canary seed peptides towards metabolism-regulating enzymes and found that they have antihypertensive and antiobesity effects. Molecular docking and in silico analyses revealed the interaction mechanisms between canary seed proteins and ACE and pancreatic lipase.
JOURNAL OF FUNCTIONAL FOODS
(2022)
Article
Agriculture, Multidisciplinary
Md Yousof Ali, Susoma Jannat, Mun Seog Chang
Summary: Major compounds in pomegranate extract can effectively inhibit ACE enzyme activity, enhance nitric oxide production, activate eNOS enzyme, and reduce reactive oxygen species production. These active compounds also improve glucose uptake in insulin-resistant muscle cells. These experimental results provide further support to the traditional medicine that uses pomegranates to treat cardiovascular diseases like hypertension.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2023)
Article
Agriculture, Multidisciplinary
Md Yousof Ali, Sumera Zaib, Susoma Jannat, Imtiaz Khan
Summary: Ginsenoside derivatives exhibit significant inhibitory effects on ACE, with protopanaxatriol, protopanaxadiol, and ginsenoside Rh2 showing the most potent inhibition. Molecular docking studies confirmed that ginsenosides inhibit ACE through hydrogen bonds and hydrophobic interactions. Additionally, ginsenosides also stimulate glucose uptake in insulin-resistant cells and have antioxidant properties.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2021)
Article
Agriculture, Multidisciplinary
Lu Lu, Jia Mi, Bo Jin, Lutao Zhang, Qing Luo, Xiaoying Li, Yamei Yan, Youlong Cao
Summary: This study aimed to investigate the inhibitory effect of different anthocyanin purities from Lycium ruthenicum Murray (LRM) on angiotensin-I-converting enzyme (ACE) activity in vitro, and analyze the inhibitory mechanism using molecular docking technology. The results showed that Pt3R5G from LRM effectively inhibited ACE activity, and the inhibition was mediated by hydrogen bonds between Pt3R5G and ACE amino acid residues. Pt3R5G can be considered as a potential plant-based ACE inhibitor for its antihypertensive effects.
JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE
(2023)
Article
Agriculture, Multidisciplinary
Nan Wu, Quan Wuhanqimuge, Quan Shuang
Summary: This study identified novel angiotensin converting enzyme inhibitory (ACEI) pentapeptides in milk fermented with Lactobacillus delbrueckii QS306 with and without ultrahigh-pressure treatment. Three pentapeptides, HLPLP, PYPQR, and VAPFP, showed good activity and stability, making them promising candidates for controlling hypertension.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Toshiya Hatakenaka, Tamaki Kato, Kouji Okamoto
Summary: One of the striking features of the hydrophobic domains in the tropoelastin molecule is the presence of the repeating sequence VAPGVG. In vitro studies showed that VAP derivative peptides VLP, VGP, VSP, GAP, LSP, and TRP exhibited potent ACE inhibitory activities, while the non-derivative peptide APG showed weak activity. Molecular docking studies suggested that TRP had stronger interactions with ACE than APG, and had a wider spread in the ACE active pocket.
Article
Agriculture, Multidisciplinary
Jiaxu Wang, Boyue Shao, Jiaxin Li, Zhimin Wang, Mixia Zhang, Lili Jia, Pengfei Yu, Chunli Ma
Summary: This study evaluated the production of ACE-inhibitory peptides during the fermentation of skimmed milk by Lacticaseibacillus paracasei M3 strain and investigated their inhibitory mechanism and stability. The fermented milk showed ACE inhibition activity of 71.94±1.39%. After digestion, the ACE inhibitory activities of the fermented milk were 78.40±1.93% and 74.96±1.73% by gastric juice and pancreatic juice, respectively. Bioinformatics analysis identified 11 peptides from milk proteins, and molecular docking revealed a high affinity between peptide PWIQPK and ACE. In silico proteolysis suggested that PWIQPK is relatively stable in the digestive tract. These findings suggest that milk fermented by L. paracasei M3 has the potential to be used as a functional food with antihypertensive effects.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2023)
Article
Biochemical Research Methods
Strahinja Z. Kovacevic, Milica Z. Karadzic, Dajana V. Vukic, Vladimir R. Vukic, Sanja O. Podunavac-Kuzmanovic, Lidija R. Jevric, Jovana J. Ajdukovic
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2019)
Article
Biochemistry & Molecular Biology
Benjamin Nji Wandi, Vilja Siitonen, Pedro Dinis, Vladimir Vukic, Tiina A. Salminen, Mikko Metsa-Ketela
Article
Oncology
Farid Ahmad Siddiqui, Hanna Parkkola, Vladimir Vukic, Christina Oetken-Lindholm, Alok Jaiswal, Alexandros Kiriazis, Karolina Pavic, Tero Aittokallio, Tiina A. Salminen, Daniel Abankwa
Summary: The correct folding of proteins is crucial for cellular activity. Hsp90, together with Cdc37, plays a potentially more important role in several cancer cells by stabilizing mutant kinases and assisting other cancer-related proteins. The inhibition of Hsp90/Cdc37 interface by drug-like small molecules shows promise in potential applications for various cancers, including pancreatic cancer. Further research is needed to understand the mechanisms and therapeutic potential of these inhibitors.
Article
Food Science & Technology
Dajana Vukic, Branimir Pavlic, Vladimir Vukic, Mirela Ilicic, Katarina Kanuric, Maja Bjekic, Zoran Zekovic
Summary: Recent studies have explored the potential of using kombucha as a non-conventional starter culture in fermented dairy products, while also investigating the antioxidant properties of natural extracts from medicinal and aromatic plants. The research aimed to study the effects of kombucha inoculum and sage preparations on fresh cheese technology, finding that the addition of sage led to higher antioxidant activity in the produced cheeses. Overall, the sensory characteristics of the kombucha fresh cheese fortified with sage preparations were satisfactory, making it a promising dairy product innovation.
JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE
(2022)
Article
Biochemistry & Molecular Biology
Farid A. Siddiqui, Vladimir Vukic, Tiina A. Salminen, Daniel Abankwa
Summary: Elaiophylin is a macrodiolide that disrupts the interaction between Hsp90 and Cdc37, selectively targeting K-Ras and inhibiting cancer stem cell properties. This mechanism is similar to conglobatin A and leads to decreased expression of Hsp90 client HIF1 alpha, resulting in potent effects on cancer cell formation.
Article
Food Science & Technology
Vladimir Vukic, Mirela Ilicic, Dajana Vukic, Suncica Kocic-Tanackov, Branimir Pavlic, Maja Bjekic, Katarina Kanuric, Jovana Degenek, Zoran Zekovic
Summary: Kombucha has been successfully used as a non-conventional starter culture for producing kombucha fresh cheese, which has a shorter fermentation time compared to using commercial starter culture XPL-1. Kombucha fresh cheese exhibited high antimicrobial activity, reducing the total count of E. coli and L. monocytogenes significantly during storage, which can be attributed to the antimicrobial effects of kombucha starter and the high total phenols content in the kombucha sample.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2021)
Article
Chemistry, Medicinal
Vladimir R. Vukic, Dajana V. Vukic, Goran Benedekovic, Vesna Kojic, Velimir Popsavin
Summary: In this study, (-)-cleistenolide (1) and its 24 new analogs were evaluated for their cytotoxic activity against prostate cancer cells. The most potent compound, 4-methoxy cinnamate 12, showed significantly stronger antiproliferative activity compared to the lead compound and the commercial antitumor agent cisplatin. In silico analysis suggested that these compounds have desirable ADME-Tox properties for drug candidates. The 3D-QSAR model constructed in this study successfully identified analogs with significant cytotoxic activity against prostate cancer cells and provided essential information for designing new analogs.
PHARMACEUTICAL CHEMISTRY JOURNAL
(2022)
Article
Food Science & Technology
Stefan Jaric, Aabha Bajaj, Vladimir Vukic, Ivana Gadjanski, Ibrahim Abdulhalim, Ivan Bobrinetskiy
Summary: In this study, a new method for label-free detection of cyanotoxin molecules using a graphene-modified surface plasmon resonance (SPR) aptasensor is reported. Molecular dynamic simulation reveals the strongest binding sites between the aptamer and cylindrospermopsin (CYN) are located between C18-C26 pairs. The SPR sensor was modified using the wet transfer method of CVD monolayer graphene. For the first time, graphene functionalized with an aptamer was used as a bioreceptor in conjunction with SPR for the detection of CYN, showing noticeable changes in the optical signal in response to concentrations below the maximum tolerable level of 1 μg/L and high specificity.
Article
Biochemistry & Molecular Biology
Milica Acimovic, Ivanka Semerdijeva, Valtcho D. Zheljazkov, Milica Rat, Jovana Stankovic Jeremic, Biljana Loncar, Vladimir Vukic, Katarina Radovanovic, Neda Gavaric, Lato Pezo
Summary: This research investigated the essential oil composition of Achillea clypeolata collected from different locations in Bulgaria and Serbia. Results showed that the main constituent of A. clypeolata from Serbia was 1,8-cineole, while the samples from Bulgaria had a more diverse composition, including 1,8-cineole, camphor, and borneol.
BIOCHEMICAL SYSTEMATICS AND ECOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Vladimir Vukic, Dajana Vukic, Branimir Pavlic, Mirela Ilicic, Suncica Kocic-Tanackov, Katarina Kanuric, Maja Bjekic, Zoran Zekovic
Summary: One of the main challenges in fresh cheese technology is its limited shelf life. Different strategies, such as the application of starter cultures and the use of sage by-products, have been explored to prolong the shelf life and improve the quality of fresh cheese.
Article
Food Science & Technology
Jovana Degenek, Katarina Kanuric, Mirela Ilicic, Dajana Vukic, Zivan Mrkonjic, Branimir Pavlic, Zoran Zekovic, Vladimir Vukic
Summary: Kombucha drink, characterized by the presence of acetic and lactic acid bacteria, can be used as an alternative to starter culture in fresh cheese production. The addition of wild thyme extracts enhances the physicochemical properties, antioxidant activity, and sensory characteristics of functional fresh cheese. The study highlights the beneficial effects of wild thyme on consumer acceptance of the cheese.
Article
Agriculture, Dairy & Animal Science
Maja Bjekic, Mirela Ilicic, Vladimir Vukic, Dajana Vukic, Katarina Kanuric, Branimir Pavlic, Zoran Zekovic, Ljiljana Popovic, Aleksandra Torbica, Jelena Tomic, Jovana Degenek
Summary: The study compared two types of fresh cheese produced using kombucha inoculum and traditional starter culture. It found that kombucha fresh cheese had higher protein content, better digestion and higher antioxidant potential compared to fresh cheese made with traditional culture. These results suggest that kombucha inoculum can enhance the bioactive potential of the product.
Article
Agriculture, Dairy & Animal Science
Mirela Ilicic, Spasenija Milanovic, Katarina Kanuric, Vladimir Vukic, Dajana Vukic, Biljana Stojanovic
Summary: The study demonstrated that the addition of transglutaminase can improve the texture and rheological properties of kombucha fermented milk beverages, particularly in set samples. Hardness and consistency were increased with the incorporation of transglutaminase.