Article
Microbiology
Cindy Vavro, Theodore Ruel, Andrew Wiznia, Nicole Montanez, Keith Nangle, Joseph Horton, Ann M. Buchanan, Eugene L. Stewart, Paul Palumbo
Summary: This study describes the mechanisms of emergent integrase strand transfer inhibitor (INSTI) resistance among adolescents and children receiving dolutegravir treatment and provides molecular and structural characterization to aid in the understanding of INSTI resistance mechanisms in antiretroviral-experienced populations.
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
(2022)
Review
Chemistry, Medicinal
Emma G. Foster, Howard E. Gendelman, Aditya N. Bade
Summary: The use of antiretroviral therapy (ART) has led to an increase in the number of children born to mothers infected with human immunodeficiency virus type-1 (HIV-1). However, the effects of ART on the neurodevelopment of these children remain unclear. This review discusses the use of ART during pregnancy, specifically focusing on the potential impact of integrase strand transfer inhibitors (INSTIs) on fetal neurodevelopment. Future scientific investigations are needed to fully understand the consequences of INSTIs on fetal outcomes.
Article
Biochemistry & Molecular Biology
Lu Huang, Xulong Wu, Xiaoli Fu, Haoxiang Wang, Biao Tang, Yirong Xiao, Caixia Zhou, Zhiqiao Zhao, Yujun Wan, Hui Chen, Zizhong Tang, Huipeng Yao, Zhi Shan, Tongliang Bu
Summary: In this study, a combination of structure-based drug carriers and molecular docking-based virtual screening was used to screen new potential FGFR1 inhibitors, providing a new approach for further research to explore better therapeutic effects in cancer treatment.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Pharmacology & Pharmacy
Soo-Yon Rhee, Neil Parkin, P. Richard Harrigan, Susan Holmes, Robert W. Shafer
Summary: This study reviewed the genetic mechanisms of resistance to Cabotegravir (CAB). The results showed that the most commonly selected mutations in patients developing virological failure while receiving CAB included Q148R, N155H, and E138K. The study also identified 14 drug resistance mutations significantly associated with reduced CAB susceptibility. The study highlights the importance of careful patient screening and close virological monitoring to prevent the emergence of drug resistance with the use of CAB.
ANTIVIRAL RESEARCH
(2022)
Article
Infectious Diseases
Benjamin M. Wenk, Herbert A. Mbunkah, Ndi N. Nsanwe, Eyongetah T. Mbu, Lydia M. Besong, Bella A. Sama, Emmanuel Orock, Christine Leemann, Karin J. Metzner
Summary: This study investigated the prevalence of pretreatment HIV-1 resistance to INSTIs in Cameroon and found a low resistance rate. However, a majority of individuals carried polymorphic accessory INSTI drug resistance mutations, which may require further studies to assess their impact on INSTI-based ART regimens.
JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY
(2021)
Article
Infectious Diseases
Zhenyan Wang, Min Zhang, Jiangrong Wang, Li Liu, Jun Chen, Renfang Zhang, Yang Tang, Yinzhong Shen, Tangkai Qi, Wei Song, Jianjun Sun, Shuibao Xu, Junyang Yang, Hongzhou Lu
Summary: This study evaluates the prevalence of HIV-1 mutation V179D/E and its impact on the virological response to the first-line efavirenz-based regimen in ART-naive patients in Shanghai, China. The study finds a high prevalence of V179D/E and suggests that the efavirenz-based regimen may not be suitable for patients with this mutation, especially those with a high baseline viral load.
INFECTIOUS DISEASES AND THERAPY
(2023)
Article
Medicine, General & Internal
Paul E. Sax, Jose R. Arribas, Chloe Orkin, Adriano Lazzarin, Anton Pozniak, Edwin DeJesus, Franco Maggiolo, Hans-Joergen Stellbrink, Yazdan Yazdanpanah, Rima Acosta, Hailin Huang, Jason T. Hindman, Hal Martin, Jared M. Baeten, David Wohl
Summary: This study evaluated the long-term efficacy and safety of B/F/TAF in HIV-1 treatment. The results showed that B/F/TAF maintained high rates of virologic suppression over 5 years, with no treatment-emergent resistance and rare drug discontinuations due to adverse events.
Article
Immunology
Huizheng Zhang, Ping Wu, Jungang Li, Mei Li
Summary: This study examined the occurrence of acquired and transmitted drug resistance to integrase strand transfer inhibitor (INSTI) in HIV-1 strains in Chongqing, China, and provided clinical recommendations. The study found a certain proportion of INSTI resistance in HIV-1 infected patients and monitored the reduction of INSTI sensitivity.
Article
Biochemistry & Molecular Biology
Alan N. Engelman, Peter Cherepanov
Summary: Recent high-resolution structures of HIV-1 intasomes and intasomes from a closely related strain of simian immunodeficiency virus (SIV) have revealed the binding modes of several advanced INSTI compounds to the HIV/SIV integrase active site, critically informing the structural basis of drug resistance and providing important guidance for the continued development of this class of antiretroviral therapeutics.
Article
Chemistry, Medicinal
Steven J. Smith, Xue Zhi Zhao, Dario Oliveira Passos, Valerie E. Pye, Peter Cherepanov, Dmitry Lyumkis, Terrence R. Burke, Stephen H. Hughes
Summary: INSTIs are first-line drugs for the treatment of HIV-1/AIDS, blocking the integration step of the retroviral lifecycle. New and better compounds are needed to overcome mutations that reduce the potency of existing INSTIs.
ACS INFECTIOUS DISEASES
(2021)
Article
Immunology
IkRak Jung, Becky Tu-Sekine, Sunghee Jin, Frederick Anokye-Danso, Rexford S. Ahima, Todd T. Brown, Sangwon F. Kim
Summary: The study found that DTG targets UCP1 and mitochondrial functions in brown and beige adipocytes, disrupting thermogenic functions in preclinical models.
JOURNAL OF INFECTIOUS DISEASES
(2022)
Article
Immunology
Josep M. Llibre, Carlos Brites, Chien-Yu Cheng, Olayemi Osiyemi, Carlos Galera, Laurent Hocqueloux, Franco Maggiolo, Olaf Degen, Stephen Taylor, Elizabeth Blair, Choy Man, Brian Wynne, James Oyee, Mark Underwood, Lloyd Curtis, Gilda Bontempo, Jean van Wyk
Summary: In the TANGO study, switching to DTG/3TC demonstrated long-term noninferior efficacy compared to continuing other drug regimens in treatment-experienced adults with HIV-1. The phase 3 SALSA study evaluated the efficacy and safety of switching to DTG/3TC compared to continuing different antiretroviral regimens. The results showed that switching to DTG/3TC was noninferior to continuing other drug regimens in maintaining virologic suppression at 48 weeks.
CLINICAL INFECTIOUS DISEASES
(2023)
Article
Biochemistry & Molecular Biology
R. P. Bhole, C. G. Bonde, S. C. Bonde, R. V. Chikhale, R. D. Wavhale
Summary: A pharmacophore and 3D QSAR model for HIV Capsid Protein inhibitors was designed to predict novel inhibitors, showing promising results which can be applied to identify potential new chemical entities with better HIV-1 capsid assembly inhibition.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Immunology
Ilaria Mastrorosa, Carmela Pinnetti, Anna Clelia Brita, Annalisa Mondi, Patrizia Lorenzini, Giulia Del Duca, Alessandra Vergori, Valentina Mazzotta, Roberta Gagliardini, Marta Camici, Federico De Zottis, Marisa Fusto, Maria Maddalena Plazzi, Elisabetta Grilli, Rita Bellagamba, Stefania Cicalini, Andrea Antinori
Summary: A significant decrease in the prevalence of HIV-associated neurocognitive disorders (HAND) was observed in this large cohort of individuals receiving antiretroviral therapy (ART). In addition to HIV and patient-related factors, the use of dual and integrase strand transfer inhibitor-based regimens, along with more recent initiation of ART, may contribute to this decline.
CLINICAL INFECTIOUS DISEASES
(2023)
Review
Virology
Alan N. Engelman, Mamuka Kvaratskhelia
Summary: Integrase is a crucial protein in retroviruses responsible for inserting reverse transcripts into cellular genomes. Recent studies have found that integrase binds to viral RNA, and disruption of this binding leads to defective viral particles unable to undergo reverse transcription. Class II integrase mutant viruses also exhibit similar defects, but with variations in their underlying mechanisms.
Article
Biochemistry & Molecular Biology
Prassan Choudhary, Hillol Chakdar, Arjun Singh, Sunil Kumar, Sanjeev Kumar Singh, Murali Aarthy, Sanjay Kumar Goswami, Alok Kumar Srivastava, Anil Kumar Saxena
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2020)
Article
Chemistry, Medicinal
Abhishek Aher, Trishang Udhwani, Ravina Khandelwal, Aakanksha Limaye, Tajamul Hussain, Anuraj Nayarisseri, Sanjeev Kumar Singh
CURRENT COMPUTER-AIDED DRUG DESIGN
(2020)
Review
Pharmacology & Pharmacy
Chandrabose Selvaraj, Gurudeeban Selvaraj, Satyavani Kaliamurthi, William C. Cho, Dong-Qing Wei, Sanjeev Kumar Singh
CURRENT DRUG TARGETS
(2020)
Article
Biochemistry & Molecular Biology
Sitrarasu Vijaya Prabhu, Sanjeev Kumar Singh
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2020)
Article
Biochemistry & Molecular Biology
Jeyachandran Sivakamavalli, Chandrabose Selvaraj, Sanjeev Kumar Singh, Kiyun Park, Ihn-Sil Kwak, Baskaralingam Vaseeharan
INTERNATIONAL JOURNAL OF PEPTIDE RESEARCH AND THERAPEUTICS
(2020)
Letter
Biochemistry & Molecular Biology
Sathishkumar Chinnasamy, Gurudeeban Selvaraj, Aman Chandra Kaushik, Satyavani Kaliamurthi, Selvaraj Chandrabose, Sanjeev Kumar Singh, Ramanathan Thirugnanasambandam, Keren Gu, Dong-Qing Wei
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2020)
Article
Biochemistry & Molecular Biology
Rakhi Yadav, Chandrabose Selvaraj, Murali Aarthy, Prateek Kumar, Ankur Kumar, Sanjeev Kumar Singh, Rajanish Giri
Summary: With no vaccine or therapies available against the Zika virus to date, there is an urgent need to find potential drug candidates. The NS2B-NS3 protease is considered an attractive target for therapeutic intervention, with flavonoids showing promise as inhibitors. Further research is needed to explore the molecular interactions and mechanism of action of these compounds targeting the NS2B-NS3 protease for inhibition of Zika virus replication.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Chemistry, Medicinal
Ritu Adhikary, Ravina Khandelwal, Tajamul Hussain, Anuraj Nayarisseri, Sanjeev K. Singh
Summary: This study focused on identifying a high-affinity inhibitor for ROS1, discovering a potential and effective compound as a preventive measure for non-small cell lung cancer (NSCLC).
CURRENT COMPUTER-AIDED DRUG DESIGN
(2021)
Article
Biochemistry & Molecular Biology
Umesh, Debanjan Kundu, Chandrabose Selvaraj, Sanjeev Kumar Singh, Vikash Kumar Dubey
Summary: Chemical compounds from Indian spices, such as Carnosol, Arjunglucoside-I, and Rosmanol, have shown potential as inhibitors of SARS-CoV-2 main protease in molecular docking experiments. These compounds exhibit strong and stable binding affinity with the active site of SARS-CoV-2 Mpro, suggesting they could be promising candidates for anti-viral drugs against nCoV pending further validation through clinical trials.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Chemistry, Multidisciplinary
Sivakamavalli Jeyachandran, Selvaraj Chandrabose, Sanjeev Kumar Singh, Vaseeharan Baskaralingam, Kiyun Park, Ihn-Sil Kwak
STRUCTURAL CHEMISTRY
(2020)
Article
Multidisciplinary Sciences
Murali Aarthy, Umesh Panwar, Sanjeev Kumar Singh
SCIENTIFIC REPORTS
(2020)
Article
Chemistry, Multidisciplinary
Deepak Kumar, Nitin Sharma, Murali Aarthy, Sanjeev Kumar Singh, Rajanish Giri
Article
Biochemistry & Molecular Biology
Rohitash Yadav, Mohammed Imran, Puneet Dhamija, Kapil Suchal, Shailendra Handu
Summary: This study utilized virtual screening, molecular modeling, and docking techniques to identify three potential drugs targeting the N protein of SARS-CoV-2 from Asinex and PubChem databases. These drugs showed promising efficacy at Site 3, with Zidovudine demonstrating stable interaction with the virus, paving the way for further biological validation as a potential treatment.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Chemistry, Medicinal
Parthiban Marimuthu, Suresh Gorle, Konda Reddy Karnati
Summary: This study employed multiple computational approaches to investigate the mechanistic basis of high-affinity inhibitors for the main protease of SARS-CoV-2, providing insights into potential anti-M-pro strategies.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2021)
Article
Chemistry, Multidisciplinary
Konda Reddy Karnati, Yixuan Wang, Yongli Du
Article
Biochemistry & Molecular Biology
Sotirios P. Fortis, Anthimia Batrinou, Hara T. Georgatzakou, Ioannis Tsamesidis, Grigorios Alvanidis, Effie G. Papageorgiou, Kontantinos Stamoulis, Dimitrios Gkiliopoulos, Georgia K. Pouroutzidou, Anna Theocharidou, Eleana Kontonasaki, Anastasios G. Kriebardis
Summary: This study evaluated the compatibility of human blood cells with silica-based mesoporous nanomaterials (MSNs) manufactured using the solgel method, with Ca and Ce as doping elements. The results showed that these nanomaterials had no impact on the viability of lymphocytes and monocytes, but reduced the viability of granulocytes. Additionally, the expression of Pselectin in platelets and the level of internal reactive oxygen species increased when exposed to MSNs. The presence of Ce in the MSNs improved their hemocompatibility to some extent. Further research is needed to understand how MSNs may affect different blood components and design safe and effective MSNs for biomedical applications.
CHEMICO-BIOLOGICAL INTERACTIONS
(2024)
Retraction
Biochemistry & Molecular Biology
Tiechao Jiang, Dongli Jiang, Dong You, Lirong Zhang, Long Liu, Qini Zhao
CHEMICO-BIOLOGICAL INTERACTIONS
(2024)
Article
Biochemistry & Molecular Biology
Yuting Chen, Lin Chen, Shiheng Zhu, Hui Yang, Zhongming Ye, Huanhuan Wang, Haipeng Wu, Yao Wu, Qian Sun, Xiaoshan Liu, Hairong Liang, Huanwen Tang
Summary: This study investigates the impact of exosomal derived miR-1246 from HQ-transformed cells on cell-to-cell communication in recipient TK6 cells. The results show that exosomal miR-1246 targets CCNG2, regulating TK6 cell cycle arrest, highlighting its potential as a biomarker for HQ-induced malignant transformation.
CHEMICO-BIOLOGICAL INTERACTIONS
(2024)
Article
Biochemistry & Molecular Biology
Shuping Yu, Yaming Mu, Kai Wang, Ling Wang, Chunying Wang, Zexin Yang, Yu Liu, Shuxian Li, Meihua Zhang
Summary: Fetal growth restriction (FGR) is a common complication in obstetrics, and its exact cause is unknown. In this study, we constructed 1-NP exposed pregnant mice models and found that 1-NP induced FGR. Additionally, we observed significant ferroptosis in placental trophoblasts from 1-NP exposed mice and human FGR patients. Using in vitro cell models, we demonstrated that 1-NP impaired trophoblast biological function and induced cellular ferroptosis. We also identified the ERK signaling pathway and CYP1B1 as key regulators of 1-NP-induced ferroptosis. This study provides new insights into the aetiology of FGR and the reproductive toxicity of environmental pollutants.
CHEMICO-BIOLOGICAL INTERACTIONS
(2024)
Article
Biochemistry & Molecular Biology
Lei Hou, Yingying Zhao, Shiyu Zhao, Xuexia Zhang, Xia Yao, Jianjun Yang, Ziteng Wang, Shuaibing Liu
Summary: This study systematically characterized the UGTs enzymes involved in the formation of M4 and the inhibitory effects of ciprofol and its metabolite M4 on P450s enzymes. In vitro-in vivo extrapolation and PBPK simulations were performed to predict potential drug-drug interactions caused by ciprofol.
CHEMICO-BIOLOGICAL INTERACTIONS
(2024)
Review
Biochemistry & Molecular Biology
Disheng Liu, Lu Wang, Wuhua Ha, Kan Li, Rong Shen, Degui Wang
Summary: Renal fibrosis is a common outcome of renal injuries, characterized by structural destruction and functional decline of the kidneys. Hypoxia induces the activation of HIF-1 alpha, which regulates cellular metabolism, proliferation, apoptosis, and inflammation, contributing to the development of renal fibrosis. Understanding the regulation and cascade reactions mediated by HIF-1 alpha can provide new insights for studying the mechanism of renal fibrosis.
CHEMICO-BIOLOGICAL INTERACTIONS
(2024)
Article
Biochemistry & Molecular Biology
Zhao-Bo Luo, Liu-Hui Yang, Sheng-Zhong Han, Shuang-Yan Chang, Hongye Liu, Zhi-Yong An, Xiu-Li Zhang, Biao-Hu Quan, Xi-Jun Yin, Jin-Dan Kang
Summary: This study demonstrates that cyclophosphamide (CTX) treatment has detrimental effects on oocytes and embryos, leading to DNA damage, apoptosis, and abnormal histone modification. Supplementation with LBH589 can effectively restore the developmental potential of embryos by increasing histone modification levels and restoring protein expression of NF-kappa B, a key regulator of early embryo development.
CHEMICO-BIOLOGICAL INTERACTIONS
(2024)
Article
Biochemistry & Molecular Biology
Sheng Chen, Hanqing Xu, Yi He, Chen Meng, Yunhui Fan, Yunkun Qu, Yingguang Wang, Wei Zhou, Xiaojian Huang, Hongbo You
Summary: Osteoarthritis is a heterogeneous disease that affects the entire joint. This study found that Carveol can reverse the inflammatory state of macrophages, promote their anti-inflammatory effects, and protect cartilage by activating the NRF2/HO-1/NQO1 pathway and reducing ROS clearance. The results also showed that Carveol can alleviate the pathological changes of osteoarthritis in mice, suggesting its potential therapeutic efficacy.
CHEMICO-BIOLOGICAL INTERACTIONS
(2024)
Article
Biochemistry & Molecular Biology
Liyi Wei, Tingting Wang, Mingcui Luo, Shuai Zhang, Mengxi Lu, Xinli Zhou, Xuelei Cheng, Hui Wang, Dan Xu
Summary: This study found that azithromycin during pregnancy may have toxic effects on fetal hippocampal development, especially in the late pregnancy, high dose, and multi-course situation. The results also suggest that the SOX2/Wnt signaling pathway may be involved in this toxicity.
CHEMICO-BIOLOGICAL INTERACTIONS
(2024)
Review
Biochemistry & Molecular Biology
Di Wu, Faheem Ahmed Khan, Kejia Zhang, Nuruliarizki Shinta Pandupuspitasari, Windu Negara, Kaifeng Guan, Fei Sun, Chunjie Huang
Summary: Retinoic acid (RA) is a signaling molecule derived from vitamin A/retinol, with implications in various aspects of health and disease. It regulates cell functioning through both transcriptional and non-genomic mechanisms, influencing cell-fate determination, neurogenesis, visual function, inflammatory responses, and gametogenesis commitment.
CHEMICO-BIOLOGICAL INTERACTIONS
(2024)
Review
Biochemistry & Molecular Biology
Bilal Murtaza, Lili Wang, Xiaoyu Li, Muhammad Yasir Nawaz, Muhammad Kashif Saleemi, Aisha Khatoon, Xu Yongping
Summary: Mycotoxins in food pose significant concerns for food safety and public health, potentially causing a range of adverse symptoms and cancer development. Deoxynivalenol (DON) is particularly worrisome due to its harm to vital organs. Altered mycotoxins present possible risks to the environment and well-being, necessitating further research into their adverse consequences. Accurately assessing the risk posed by modified mycotoxins remains challenging.
CHEMICO-BIOLOGICAL INTERACTIONS
(2024)
Article
Biochemistry & Molecular Biology
Emine Toraman, Buesra Budak, Cemil Bayram, Selma Sezen, Behzad Mokhtare, Ahmet Hacimueftueoglu
Summary: The study suggests that parthenolide (PTL) may have therapeutic effects in treating testicular toxicity caused by paclitaxel (PTX) through reducing oxidative stress and increasing glutathione levels. PTL also promotes the expression of genes involved in reproduction and sperm production.
CHEMICO-BIOLOGICAL INTERACTIONS
(2024)
Correction
Biochemistry & Molecular Biology
Cuicui Zhuang, Hui Huo, Wanfa Fu, Wanyue Huang, Lulu Han, Miao Song, Yanfei Li
CHEMICO-BIOLOGICAL INTERACTIONS
(2024)
Article
Biochemistry & Molecular Biology
Taotao Zhao, Jia Lv, Mingyuan Peng, Jiahui Mi, Shaosan Zhang, Jie Liu, Tong Chen, Zilong Sun, Ruiyan Niu
Summary: This study explores the protective effects of fecal microbiota transplantation (FMT) and short-chain fatty acids (SCFAs) supplementation on learning and memory impairment caused by fluoride exposure in mice. The results show that FMT and SCFAs can improve memory deficits and alleviate pathological damages caused by fluoride, possibly by activating the BDNF-PI3K/AKT pathway. Furthermore, the disordered gut microbiome caused by fluoride can be restored through frequent FMT.
CHEMICO-BIOLOGICAL INTERACTIONS
(2024)
Article
Biochemistry & Molecular Biology
Yong Liu, Zhaofei Pang, Yadong Wang, Jichang Liu, Guanghui Wang, Jiajun Du
Summary: This study reveals that silencing PKD2 promotes ferroptosis in LUAD by increasing reactive oxygen species, malondialdehyde accumulation, intracellular iron content and cell death. Overexpression of PKD2 prevents autophagic degradation of ferritin and promotes proliferation, migration and invasion of LUAD cells. Moreover, targeting PKD2 enhances the efficacy of carboplatin through ferroptosis and apoptosis in LUAD.
CHEMICO-BIOLOGICAL INTERACTIONS
(2024)