Article
Biochemistry & Molecular Biology
Shilpa Sharma, Shashank Deep
Summary: COVID-19, caused by SARS-CoV-2, is a viral disease with millions of infections worldwide. This study explores drug repurposing and identifies EGCG, withaferin, dolutegravir, and artesunate as potential inhibitors for the main protease (M-pro) of the coronavirus.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Review
Plant Sciences
Nourhan Hisham Shady, Khayrya A. Youssif, Ahmed M. Sayed, Lassaad Belbahri, Tomasz Oszako, Hossam M. Hassan, Usama Ramadan Abdelmohsen
Summary: The COVID-19 outbreak has caused global panic, with no specific treatment available yet. Natural herbal medicines and purified products may offer a rich resource for novel antiviral drugs. This review focuses on sterols and triterpenes as potential candidates derived from natural sources, which could be developed into anti-SARS-CoV-2 therapeutics.
Article
Nutrition & Dietetics
Mamdooh Ghoneum, Shaymaa Abdulmalek, Hewida H. Fadel
Summary: This study examines the efficacy of Biobran/MGN-3 against SARS-CoV-2 and shows that Biobran has potent antiviral activity against SARS-CoV-2 in vitro. It suggests that Biobran may be able to prevent SARS-CoV-2 infection, which warrants further investigation in clinical trials.
Article
Biochemistry & Molecular Biology
Sheikh Sunzid Ahmed, Abdullah Al-Mamun, Shah Imran Hossain, Farzana Akter, Ishtiaque Ahammad, Zeshan Mahmud Chowdhury, Md Salimullah
Summary: The study aimed to evaluate the antiviral effects of bioactive phytochemicals against SARS-CoV-2 variants of concern. Liquiritigenin, a natural compound, showed the most promising potential as an inhibitor against the variants. These findings provide a potential lead compound for developing effective medications, but further in vivo trials are necessary for validation.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Virology
Sophakama Zabo, Kevin Alan Lobb
Summary: The main protease (M-pro) of SARS-CoV-2 is crucial for the virus's life cycle. It cleaves the polyproteins to form mature proteins, essential for virion formation. Molecular docking and molecular dynamics simulations were performed to study the recognition and cleavage of hexapeptides by M-pro. The results provided insights into M-pro's substrate recognition and its implications for developing small molecule inhibitors.
Article
Biochemistry & Molecular Biology
Kottapalli Srividya, Snober S. Mir, Saravanamuthu Thiyagarajan, Aamir Nazir
Summary: This study identified potential active compounds in dietary spices that may help reduce viral impact and boost host immune response, such as procyanidin-B4 from bay leaf, fenugreekine from fenugreek seed.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Review
Biochemistry & Molecular Biology
Somnath Basak, Jyoti Gokhale
Summary: The human immune system is greatly influenced by dietary intake of specific nutrients and bioactive compounds, which have been found to have preventive effects against various diseases. Functional foods containing novel bioactive ingredients such as probiotics, polyunsaturated fatty acids, and phytoconstituents are being developed to modulate immunity and provide benefits beyond basic nutrition. These ingredients not only affect immunity through immunomodulation, but also through their antioxidant, antibacterial, and antiviral properties. The potential of nutraceuticals and functional foods in boosting immunity and preventing diseases is being explored, although challenges remain in translating research findings into market products.
JOURNAL OF FOOD BIOCHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Faizul Azam, Ismail M. Taban, Eltayeb E. M. Eid, Muzaffar Iqbal, Ozair Alam, Shamshir Khan, Danish Mahmood, Md Jamir Anwar, Habibullah Khalilullah, M. U. Khan
Summary: This study investigates the interaction between ivermectin and COVID-19 targets as well as IMP alpha through molecular docking and molecular dynamics simulation. The results show that ivermectin has a strong affinity for the non-structural protein 9 of the virus and moderate affinity for IMP alpha.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Biochemistry & Molecular Biology
Rajib Islam, Md Rimon Parves, Archi Sundar Paul, Nizam Uddin, Md Sajjadur Rahman, Abdulla Al Mamun, Md Nayeem Hossain, Md Ackas Ali, Mohammad A. Halim
Summary: The study identified potential inhibitors against SARS-CoV-2 main protease from 40 antiviral phytochemicals via molecular docking and molecular dynamics simulations. A QSAR model was established to predict favorable binding energy, and the selected candidates were found to be safer inhibitors through ADMET analysis. The computational and statistical analysis supported the potential of these phytochemicals as antiviral agents against SARS-CoV-2.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Chemistry, Medicinal
V. Alagarsamy, P. Shyam Sundar, B. Narendhar, M. T. Sulthana, Vishaka S. Kulkarni, A. Dharshini Aishwarya, V. Raja Solomon, S. Murugesan, S. Jubie, K. Rohitha, Sangeeta Dhanwar
Summary: This study used computational screening to identify two promising small molecules, sennoside-B and isotrilobine, from Ayurvedic medicinal plants, which showed lower binding energies to the SARS-CoV-2 Mpro target. These molecules can be further investigated and utilized as parent core molecules for the development of novel lead compounds for preventing COVID-19.
MEDICINAL CHEMISTRY
(2023)
Article
Biotechnology & Applied Microbiology
Lena Petit, Lea Vernes, Jean-Paul Cadoret
Summary: This study used computational tools to investigate molecules derived from algae, identifying several promising compounds with potential antiviral properties, including phycocyanobilin, phycoerythrobilin, phycourobilin, and folic acid. These compounds showed reliable binding energies and are likely to compete with the SARS-CoV-2/ACE2 complex in further studies.
JOURNAL OF APPLIED PHYCOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Shoaib Shoaib, Mohammad Azam Ansari, Geetha Kandasamy, Rajalakshimi Vasudevan, Umme Hani, Waseem Chauhan, Maryam S. Alhumaidi, Khadijah A. Altammar, Sarfuddin Azmi, Wasim Ahmad, Shadma Wahab, Najmul Islam
Summary: This article describes the discovery of a novel pathogenic virus in Wuhan, China in December 2019, which quickly spread worldwide. Further analysis revealed that the virus was a distinct strain of coronavirus, named 2019-nCoV or SARS-CoV-2. The lack of effective treatment strategies has posed a burden on health and socio-economic well-being. Rating: 8 out of 10.
Article
Biochemistry & Molecular Biology
Jyoti Rani, Anasuya Bhargav, Faez Iqbal Khan, Srinivasan Ramachandran, Dakun Lai, Urmi Bajpai
Summary: The study collated known natural antiviral compounds and identified fangchinoline and versicolactone C as compounds that bind to the structural proteins of SARS-CoV-2, causing structural deformation. Experimental validation is recommended to confirm their inhibitory effects.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Review
Biochemistry & Molecular Biology
Arumugam Vijaya Anand, Balasubramanian Balamuralikrishnan, Mohandass Kaviya, Kathirvel Bharathi, Aluru Parithathvi, Meyyazhagan Arun, Nachiappan Senthilkumar, Shanmugam Velayuthaprabhu, Muthukrishnan Saradhadevi, Naif Abdullah Al-Dhabi, Mariadhas Valan Arasu, Mohammad Iqbal Yatoo, Ruchi Tiwari, Kuldeep Dhama
Summary: This article summarizes the potential antiviral activities of certain phytochemical agents against important viral pathogens, with a special focus on herbs and medicinal plants that have shown promising results in combating SARS-CoV-2 infection.
Review
Biochemistry & Molecular Biology
Salar Hafez Ghoran, Mohamed El-Shazly, Nazim Sekeroglu, Anake Kijjoa
Summary: Following the COVID-19 pandemic caused by SARS-CoV-2, global scientific communities have been focusing on finding antiviral therapeutic agents to combat the spread of the virus. Research on natural products, particularly those derived from medicinal plants, has gained attention for their potential effectiveness in treating viral infections. This review summarizes studies on plants and their constituents used for treating infections related to the coronavirus family, aiming to provide critical analysis and insights for discovering novel therapeutic leads to fight against COVID-19.
Article
Biochemistry & Molecular Biology
Mohd Sajid Ali, Jayaraman Muthukumaran, Monika Jain, Hamad A. Al-Lohedan, M. Abul Farah, Osama Ibrahim Alsowilem
Summary: This study investigates the binding mechanism of the anticancer drug gemcitabine with the plasma protein BSA using various experimental and computational methods. The formation of a complex between gemcitabine and BSA was confirmed, with the involvement of tyrosine residues in fluorescence quenching highlighted. The primary binding site of gemcitabine in BSA was identified as drug binding site 2 (DS II), with hydrophobic forces and hydrogen bonding being the dominant intermolecular forces.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Biochemistry & Molecular Biology
Arun Bahadur Gurung, Khalid Mashay Al-Anazi, Mohammad Ajmal Ali, Joongku Lee, Mohammad Abul Farah
Summary: In this study, two lead molecules with potential anti-coronavirus infection properties were identified through computational methods. These molecules exhibited better affinity with the target enzymes and possessed favorable drug-like properties.
CURRENT PHARMACEUTICAL BIOTECHNOLOGY
(2022)
Article
Biology
Arun Bahadur Gurung, Mohammad Ajmal Ali, Joongku Lee, Mohammad Abul Farah, Khalid Mashay Al-Anazi, Hiba Sami
Summary: This study investigated the molecular binding of COVID-19 therapeutic candidate molecules to HSA, identifying their putative binding sites and evaluating the binding energies and interacting residues. The findings showed varying degrees of binding strength between different drug candidates and HSA.
SAUDI JOURNAL OF BIOLOGICAL SCIENCES
(2022)
Article
Biology
Khalid Mashay Al-Anazi, Mohammed Jabr Aljuaid, Mohammad Abul Farah, Ahmed Hossam Mahmoud, Abdulmohsen Algefare, M. Ajmal Ali, Faisal M. Abou-Tarboush
Summary: This study evaluated the potential toxicity of orally administered BPA in pregnant mice. The results showed that BPA caused reduced body weight, decreased food and water intake in pregnant mice, as well as reduced implantation sites, fetal body weight, and increased mortality rates.
SAUDI JOURNAL OF BIOLOGICAL SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Waleed Ali Hailan, Khalid Mashay Al-Anazi, Mohammad Abul Farah, Mohammad Ajmal Ali, Ahmed Ali Al-Kawmani, Faisal Mohammed Abou-Tarboush
Summary: The study demonstrated the potential of S. molle leaf extract in biosynthesizing silver nanoparticles with anticancer activity against HepG2 liver cancer cells. The biomimetic silver nanoparticles inhibited HepG2 proliferation by inducing oxidative stress, cytotoxicity, DNA damage, apoptosis, and autophagy in a dose- and time-dependent manner. These findings suggest the integration of natural products and silver nanoparticles for the development of safe and effective anticancer agents.
Article
Immunology
Khalid Mashay Alanazi, Mohammad Abul Farah, Yan-Yan Hor
Summary: This study used virtual screening to evaluate the effectiveness of nutraceuticals approved by the US FDA against 14 SARS-CoV-2 proteins. The results identified rutin and NADH as potential inhibitors with strong binding affinities. Molecular simulations provided insights into the conformational changes induced by these drugs. The computational analysis paves the way for developing multi-target inhibitors to fight against COVID-19.
Article
Multidisciplinary Sciences
Arun Bahadur Gurung, Mohammad Ajmal Ali, Joongku Lee, Mohammad Abul Farah, Khalid Mashay Al-Anazi, Fahad Al-Hemaid, Hiba Sami
Summary: This study investigated the impact of mutations in the spike protein of the SARS-CoV-2 virus on its binding affinity to the ACE2 receptor. The findings suggest that these mutations increase the binding affinity, potentially leading to higher virulence and infectivity of emerging variants. The study provides insights for designing therapeutics targeting the interface between the spike protein and ACE2 receptor.
JOURNAL OF KING SAUD UNIVERSITY SCIENCE
(2022)
Article
Multidisciplinary Sciences
Arun Bahadur Gurung, Mohammad Ajmal Ali, Joongku Lee, Mohammad Abul Farah, Khalid Mashay Al-Anazi, Fahad Al-Hemaid
Summary: This study investigates the potential of artemisinin and its derivatives as inhibitors of SARS-CoV-2 Nsp1 through computational approaches. The results show that these compounds have binding affinities to Nsp1 and provide insights into their pharmacokinetic properties and structural changes.
JOURNAL OF KING SAUD UNIVERSITY SCIENCE
(2022)
Article
Biotechnology & Applied Microbiology
Ali Abdullah Al-Mareed, Mohammed Abul Farah, Khalid Mashay Al-Anazi, Waleed A. Q. Hailan, M. Ajmal Ali
Summary: This study evaluated the oxidative stress, genotoxicity, and apoptosis induced by potassium bromate (KBrO3) in an animal model. The results showed that KBrO3 induced oxidative damage, increased reactive oxygen species levels, and decreased enzyme activity. Additionally, chromosomal aberrations and increased apoptosis were observed.
MUTATION RESEARCH-GENETIC TOXICOLOGY AND ENVIRONMENTAL MUTAGENESIS
(2022)
Article
Multidisciplinary Sciences
Mohammad Ajmal Ali, Fahad Alhemaid, Mohammad Abul Farah, Meena Elangbam, Arun Bahadur Gurung, Khalid Mashay Al-Anazi, Joongku Lee
Summary: This study explored the transcriptome of Larrea tridentata and identified candidate genes involved in the phenylpropanoid biosynthetic pathway. The results indicated that L. tridentata possesses antioxidant, anti-arthritic, and anticancer properties. These findings provide valuable insights for the biotechnological applications of L. tridentata.
Article
Biochemistry & Molecular Biology
Ghulam Mustafa, Hafiza Salaha Mahrosh, Syed Awais Attique, Rawaba Arif, Mohammad Abul Farah, Khalid Mashay Al-Anazi, Sajad Ali
Summary: Hepatitis E virus (HEV) is a significant causative agent of various infections in immunocompromised patients, affecting the liver, kidneys, pancreas, nervous system, and blood cells. The study identified potential peptides that can inhibit the activity of the viral capsid protein and serve as starting points for developing new drugs against HEV.
Article
Biochemistry & Molecular Biology
Hafiza Sehrish Kiani, Waheed Ahmad, Sana Nawaz, Mohammad Abul Farah, Akhtar Ali
Summary: This study investigated the bioactive metabolites, antioxidant and antidiabetic capacity of four unconventional edible plant leaves using advanced techniques. Moringa was found to have the highest total phenolic content and the highest antioxidant and antidiabetic potential among the selected plants. The study also identified abundant phenolic compounds in these plants.
Article
Biochemistry & Molecular Biology
Rinkey Shahu, Dinesh Kumar, Ahmad Ali, Kanchanlata Tungare, Khalid Mashay Al-Anazi, Mohammad Abul Farah, Renitta Jobby, Pamela Jha
Summary: Stevia leaf extract reduces the formation of advanced glycation end products (AGEs) and protein aggregation. It also reverses DNA glycation damage and has an impact on cell viability and glucose uptake. Stevia leaf extract shows potential as an inhibitor of glycation and could be used for the treatment of related conditions.
Article
Plant Sciences
Muhammad Sajid, Muhammad Amjid, Hassan Munir, Muhammad Ahmad, Usman Zulfiqar, Muhammad Fraz Ali, Mohammad Abul Farah, Mohamed A. A. Ahmed, Arkadiusz Artyszak
Summary: Stumpy irrigation water availability is crucial for sugarcane production in Pakistan, but it is hindered by inadequate water distribution and uneven rainfall. The study evaluated sugarcane clones' performance under low water availability in sandy loam soil and identified genotypes with resistance and susceptibility to water deficit. Genotypes S2006-US-658, S2007-AUS-384, and HSF-240 exhibited better physiological traits under water deficit, while CP 77-400, S2008-FD-19, S2006-US-469, and S2003-US-633 showed reduced growth and development under stressed conditions. The study emphasizes that sugarcane can sustain its growth with less irrigation frequency or moisture availability, with certain variations.
Article
Chemistry, Medicinal
Dinesh Kumar, Nidhi Shah, Khalid M. Al-Anazi, Mohammad Abul Farah, M. Ajmal Ali, Joongku Lee, Ahmad Ali
Summary: This study investigated the antiglycation and antioxidant potential of Tribulus terrestris extracts. The results showed that the extracts exhibited potential antiglycation and antioxidant activity in-vitro for protein and DNA.
PHARMACOGNOSY MAGAZINE
(2022)
Article
Medicine, Research & Experimental
Yuwen Zhu, Yan Guo, Yujia Xue, Anqi Zhou, Ying Chen, Yifei Chen, Xiulian Miao, Fangqiao Lv
Summary: BRG1 plays an important role in HSC-myofibroblast transition and targeting it could be a reasonable strategy for liver fibrosis intervention.
Article
Medicine, Research & Experimental
Liu Ye, Beibei Liu, Jingling Huang, Xiaolin Zhao, Yuan Wang, Yungen Xu, Shuping Wang
Summary: Doublecortin-like kinase 1 (DCLK1) is a significant prooncogenic factor that is strongly associated with the malignant progression and clinical prognosis of various cancers. DCLK1 plays important roles in stem cell marker regulation, tumor cell reprogramming, and immune evasion. However, the exact biological functions of DCLK1, especially the disparities between its alpha- and beta-form transcripts in cancer progression, remain ambiguous.
Article
Medicine, Research & Experimental
Jiahui Yang, Xiaoyu Chen, Tianjing Liu, Yongyan Shi
Summary: This article reviews the role of bile acids in necrotizing enterocolitis (NEC) and their potential therapeutic value. The dysregulation of bile acids is associated with intestinal injury, and inflammatory factors in the liver also play a crucial role in regulating bile acid transport. The bile acid metabolic pathway is important for regulating intestinal microbiota, cell proliferation, and barrier protection.
Review
Medicine, Research & Experimental
Zhenzheng Zhu, Yuemiao Xu, Yuwei Xia, Xinru Jia, Yixin Chen, Yuyue Liu, Leyin Zhang, Hui Chai, Leitao Sun
Summary: Bile acid, as the final product of cholesterol breakdown, plays a complex regulatory and signaling role in human metabolism. Research suggests that it has the potential to enhance metabolism and regulate chronic metabolic diseases through various pathways. The interaction between bile acid and gut microbiota is also of great significance.
Article
Medicine, Research & Experimental
Xin He, Hong-Xu Zhou, Xian Fu, Kai-Di Ni, Ai-Zhi Lin, Ling-Tong Zhang, Hou-Hua Yin, Qing Jiang, Xue Zhou, Yi-Wen Meng, Jun-Yan Liu
Summary: DON exposure causes an increase in deoxycholic acid (DCA), which contributes to intestinal injury. DCA may be a potential therapeutic target for DON enterotoxicity.
Article
Medicine, Research & Experimental
Zhitao Wang, Heng Ma, Abdul Nasir, Sufang Liu, Zhisong Li, Feng Tao, Qian Bai
Summary: This study reveals the involvement of TET1-mediated epigenetic regulation in chronic TMJ pain through trigeminal TNF alpha signaling.
Article
Medicine, Research & Experimental
Lu Yu, Hao Ran, Yaru Lu, Qian Ma, Huan Huang, Weibin Liu
Summary: This study found that the HIF-1 alpha inhibitor BAY 87-2243 can alleviate the symptoms of the Experimental Autoimmune Myasthenia Gravis (EAMG) inflammation model. BAY 87-2243 can restore the balance of CD4(+)T cell subsets, reduce the production of pro-inflammatory cytokines, and act as both an immune imbalance regulator and anti-inflammatory.
Article
Medicine, Research & Experimental
Alex Peralvarez-Marin, Montse Sole, Judith Serrano, Alice Taddeucci, Belen Perez, Clara Penas, Gemma Manich, Marcel Jimenez, Pilar D'Ocon, Francesc Jimenez-Altayo
Summary: This study provides the first evidence that TRPV2 channels may modulate vascular tone by balancing opposing inputs from the endothelium and smooth muscle, leading to net vasodilation. The amplification of TRPV2 channel-induced activity by NO emphasizes the pathophysiological relevance of these findings.
Article
Medicine, Research & Experimental
Amin Ullah, Jing Zhao, Jiakun Li, Rajeev K. Singla, Bairong Shen
Summary: Gastric cancer is the fifth-most prevalent and second-most deadly cancer worldwide. Late onset of symptoms makes early detection important. CXC chemokines play an important role in the pathological process of gastric cancer, but their exact role in diagnosis and prognosis is not fully understood. Inhibiting CXC chemokines shows promise as a targeted therapy.
Article
Medicine, Research & Experimental
Menna S. Zeyada, Salma M. Eraky, Mamdouh M. El-Shishtawy
Summary: The current study demonstrates the prophylactic and antifibrotic effects of Trig against BLM-induced PF by targeting multiple signaling pathways. The combination of Trig and Pirf may be a promising approach to enhance Pirf's anti-fibrotic effect.
