Article
Polymer Science
Mohammad H. Alyami, Hamad S. Alyami, Abdullah A. Alshehri, Wijdan K. Alsharif, Ibrahim Ahmed Shaikh, Thamer S. Algahtani
Summary: The present study aimed to develop a nanoemulgel formulation of Tamoxifen citrate (TAM) using the spontaneous emulsification method. The prepared nanoemulsion formulations showed suitable thermodynamic stability and physicochemical properties. The TAM-NE preparations demonstrated prolonged release and higher cumulative percentage of in vitro release compared to the plain gel suspension of TAM. The results suggest that the nanogel formulation of TAM can improve anticancer properties and reduce systemic adverse effects in the treatment of breast cancer.
Article
Biochemical Research Methods
Xingxing Dai, Liping Chen, Yuyao Liao, Mengke Sheng, Qingsong Qu, Yanshuang Shi, Xinyuan Shi
Summary: The study introduced a multiscale computational pharmaceutics strategy for the systematic study of formulation factors of a polymer-based DDS, hydrogel, which can effectively guide formulation design.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2022)
Article
Biochemistry & Molecular Biology
Mohammed S. Algahtani, Mohammad Zaki Ahmad, Ibrahim Ahmed Shaikh, Basel A. Abdel-Wahab, Ihab Hamed Nourein, Javed Ahmad
Summary: Thymoquinone, a natural bioactive substance with therapeutic activity against multiple ailments, was incorporated into a nanoemulsion-based hydrogel system to enhance its topical efficacy in wound healing. The use of black seed oil improved the drug loading capacity and reduced oil droplet size, resulting in enhanced skin penetrability and deposition characteristics after topical administration. The nanoemulgel system demonstrated quicker and early healing in wounded rats compared to conventional hydrogel systems, showing comparable efficacy with marketed cream containing silver sulfadiazine.
Article
Pharmacology & Pharmacy
Qiuyan Ma, Jing Zhang, Bohong Lu, Huaqing Lin, Rajib Sarkar, Tao Wu, Xuee Li
Summary: The study developed a novel drug delivery system, NE-gel, which prolonged drug release time, enhanced drug permeation into the skin, and improved drug retention. Experimental results showed that the drug release and permeation of NE-gel were significantly better than commercially available gel and cream formulations.
Article
Polymer Science
Irshad Ullah, Aiyeshah Alhodaib, Iffat Naz, Waqar Ahmad, Hidayat Ullah, Adnan Amin, Asif Nawaz
Summary: This study investigates the potential of omeprazole to treat skin and soft tissue infections by fabricating a chitosan-coated nanoemulgel formulation. The results show that the optimized formulation exhibits good physicochemical characteristics and satisfactory antibacterial activity, suggesting a successful treatment approach for omeprazole in topical applications.
Article
Pharmacology & Pharmacy
Salman Akram, Nicolas Anton, Ziad Omran, Thierry Vandamme
Summary: Nano-emulsions are stable suspensions of nano-scaled droplets with high loading capacities, typically used for various purposes such as formulation processes and loading capabilities. While direct nano-emulsions have been extensively studied, reverse nano-emulsion technology shows promise as an alternative for drug delivery systems, offering advantages like spontaneous emulsification and improved loading capabilities.
Article
Pharmacology & Pharmacy
Haoshi Gao, Yan Su, Wei Wang, Wei Xiong, Xiyang Sun, Yuanhui Ji, Hua Yu, Haifeng Li, Defang Ouyang
Summary: This research integrated various computational tools to optimize the formulation design of andrographolide and cyclodextrins, successfully developing a novel ternary formulation with significantly improved bioavailability, validated through a series of experiments and simulations.
ASIAN JOURNAL OF PHARMACEUTICAL SCIENCES
(2021)
Article
Chemistry, Inorganic & Nuclear
Monika, Shrestha Sharma, Manish Shrivastva, Shobhit Kumar, Syed Arman Rabbani, Arun Garg
Summary: The study developed and evaluated a novel in situ nanoemulgel of azithromycin with eugenol for intra-pocket drug delivery for periodontitis treatment. The optimized nanoemulgel showed good syringeability and sustained release of the drug, making it suitable for periodontal drug delivery.
JOURNAL OF CLUSTER SCIENCE
(2022)
Article
Agriculture, Multidisciplinary
Shang Wang, Yan Xu, Xiao-Wei Yu
Summary: In this study, the mechanism of a propeptide in fungal lipases was explored using Rhizopus chinensis lipase as a research model. Molecular dynamics simulations showed that the propeptide inhibited the lid movement of the lipase and identified a key region on the propeptide. Subsequent mutation experiments confirmed the important role of this region in catalytic efficiency and substrate specificity of the lipase.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2021)
Article
Pharmacology & Pharmacy
Haoshi Gao, Haoyue Jia, Jie Dong, Xinggang Yang, Haifeng Li, Defang Ouyang
Summary: This study successfully combined machine learning, central composite design, molecular modeling, and experimental methods to achieve rational formulation design for self-emulsifying drug delivery systems (SEDDS). The integrated computer methodology can reduce traditional drug formulation design work and bring new ideas for future drug formulation design.
ACTA PHARMACEUTICA SINICA B
(2021)
Article
Immunology
Roba Attar, Eid A. Alatawi, Faris F. Aba Alkhayl, Khloud Nawaf Alharbi, Khaled S. Allemailem, Ahmad Almatroudi
Summary: Due to the misuse of antibiotics, antimicrobial resistance has become a major health problem. This study used bacterial pan-genome analysis and reverse immunology approach to identify a potential vaccine candidate against S. auricularis, which may elicit a protective immune response.
Article
Chemistry, Physical
Demokrat Nuha, Asaf Evrim Evren, Ozge Kapusiz, Ulkuye Dudu Gul, Nalan Gundogdu-Karaburun, Ahmet Cagri Karaburun, Halil Berber
Summary: A series of novel coumarin derivatives have been synthesized and their chemical structures have been elucidated. These compounds were tested against bacteria and fungi, and some of them exhibited good antimicrobial activity, surpassing the activity of standard drugs. Molecular docking and dynamic simulation were performed on certain compounds, and the chemical reactivity properties of all molecules were examined using density functional theory.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Miaomiao Yu, Tong Wang, Lijing Wang, Yuhang Ye, Lirong Li, Xueqiang Lu
Summary: In this study, dummy molecularly imprinted polymers (DMIPs) were prepared using the combination of molecular imprinting technique and computer simulation for selective adsorption of geosmin (GSM). The stable molecular configuration and energy calculation were determined by density functional theory (DFT). The synthesized DMIPs showed superior adsorption capacity compared to non-imprinted polymers (NIPs).
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Pharmacology & Pharmacy
Bin Li, Yingyun Wang, Ying Feng, Dan Yuan, Renjie Xu, Cuiping Jiang, Xuecheng Xiao, Shan Lu
Summary: Co-amorphous supersaturated drug delivery systems are being explored as a method to improve the solubility of BCS II drugs. This study investigated the potential of using active metabolites as co-formers in drug-drug co-amorphous formulations, finding stable and enhanced dissolution properties in the co-amorphous system.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2022)
Article
Chemistry, Physical
Long Su, Jichao Sun, Feng Ding, Xinpei Gao, Liqiang Zheng
Summary: Photoresponsive emulsions have shown great potential in various applications due to their green and efficient characteristics. Molecular dynamics simulations revealed that the structural difference between trans- and cis-isomers of AzoTAB molecules affects the stability and emulsification/demulsification processes at the oil/water interface. The addition of a small amount of SDS can inhibit the desorption of AzoTAB from the interface, highlighting the importance of interfacial stability in these systems.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Pharmacology & Pharmacy
Shivaprasad Gadag, Reema Narayan, Yogendra Nayak, Sanjay Garg, Usha Y. Nayak
Summary: This study developed a transdermal patch of resveratrol (RVT) for site-specific delivery in breast cancer therapy. The patch containing HPMC E15LV, HPMC-K4M, and PVP K30 as release controlling polymers showed the best permeation of RVT. In vivo studies demonstrated higher breast tissue disposition and reduced tumor volume and serum CA 15-3 levels compared to oral administration of RVT.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2023)
Article
Virology
Varalakshmi Velagacherla, Akhil Suresh, Chetan Hasmukh Mehta, Usha Y. Nayak, Yogendra Nayak
Summary: COVID-19, caused by SARS-CoV-2, is a global pandemic that originated in Wuhan, China. Drug discovery teams worldwide are racing to find a treatment for this disease. Repurposing already approved drugs is an ideal approach to expedite the process. We used the Schrodinger suite for in silico predictions to screen selected molecules with an affinity for multiple protein targets in COVID-19. Through molecular docking, MM-GBSA, IFD, and MD simulations, we identified nintedanib as the most suitable molecule with high binding stability to viral proteins. Nintedanib, primarily used for idiopathic pulmonary fibrosis, shows potential for repurposing against COVID-19.
Review
Pharmacology & Pharmacy
Yunmei Song, Candace M. Day, Franklin Afinjuomo, Jin-Quan E. Tan, Stephen W. Page, Sanjay Garg
Summary: While the veterinary product market is growing rapidly, there is a lack of specialized knowledge in equine pharmaceutics. The similarity between horse and human anatomy allows for repurposing of human dosage forms for equine medications, but physiological variation makes therapeutic outcomes unpredictable. Research is needed to address the deficiency in literature precedence on drug delivery for horses. Novel drug delivery systems can be developed by evaluating equine anatomy and physiology to better treat medical ailments in horses. NDDSs not only enhance the duration of drug action, but also improve owner compliance and convenience of administration.
Article
Veterinary Sciences
Yunmei Song, Sadikalmahdi Abdella, Franklin Afinjuomo, Emily Josephine Weir, Jin Quan Eugene Tan, Peter Hill, Stephen W. Page, Sanjay Garg
Summary: This study compared the physicochemical properties of nine commercially available otic veterinarian products in Australia used to manage canine otitis externa (COE). The results showed that products containing polymers had higher viscosity and bio-adhesion, while spreadability was inversely related to viscosity. Aqueous-based otic products showed better syringebility, while oil-based systems required higher force to expel the products. Variability in droplet size was observed, with Derm Otic, Baytril Otic, and Aurizon Ear Drops showing lower standard deviation, indicating a more consistent dose.
BMC VETERINARY RESEARCH
(2023)
Review
Chemistry, Inorganic & Nuclear
Neha Benedicta Fernandes, Yogendra Nayak, Sanjay Garg, Usha Y. Nayak
Summary: The field of advanced nanotechnology offers a wide range of nanotheranostics for treating malignant tumors. Among them, Mesoporous Silica Nanoparticles (MSNs) combined with upconversion nanoparticles have gained prominence in biomedicine research due to their remarkable properties in drug targeting, bio-imaging, and photodynamic/photothermal therapy. MSNs have versatile pore sizes, high drug loading efficiency, and can be functionalized to enhance their applicability. This article focuses on MSN-based hybrid nanotheranostics and their designing strategies, characterization, applications, efficacy, limitations, biotoxicity, as well as current challenges and future perspectives.
COORDINATION CHEMISTRY REVIEWS
(2023)
Article
Biochemistry & Molecular Biology
E. Vignesh Balaji, Sairaj Satarker, B. Harish Kumar, Samyak Pandey, Sumit Raosaheb Birangal, Usha Y. Nayak, K. Sreedhara Ranganath Pai
Summary: This study aimed to identify novel molecules that could simultaneously inhibit IDH1 and IDH2 for the management of glioblastoma and other cancers. Through molecular docking, simulations, and molecular dynamics analysis, four potential compounds were identified. These compounds showed maximum interaction with crucial amino acids in IDH1 and IDH2 and could potentially combat glioblastoma. However, further in vitro and in vivo studies are needed to validate the findings of this study.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Immunology
Chetan Hasmukh Mehta, Shivangi Paliwal, Manjunatha S. Muttigi, Raviraja N. Seetharam, Alevoor Srinivas Bharath Prasad, Yogendra Nayak, Shruthi Acharya, Usha Yogendra Nayak
Summary: Oral submucous fibrosis (OSF) is a chronic and precancerous condition caused by chewing areca nut, and current therapy has limited success. In this study, a combined approach of in silico, in vitro and in vivo methods was used to select the most suitable polyphenols for OSF treatment. Epigallocatechin-3-gallate (EGCG), quercetin (QUR), resveratrol, and curcumin showed high affinity and stability with the selected protein targets. In vitro and in vivo studies demonstrated that EGCG was safer and more effective in reducing fibrosis-related markers than QUR. The findings suggest that EGCG can be a potential and safer phytomolecule for OSF therapy.
INFLAMMOPHARMACOLOGY
(2023)
Review
Pharmacology & Pharmacy
Deepa D. Nakmode, Candace M. Day, Yunmei Song, Sanjay Garg
Summary: Parkinson's disease has had significant impact on a large portion of the elderly population worldwide, with an estimated 8.5 million people living with the disease globally. In the United States, approximately one million people are living with Parkinson's disease, and 60,000 new cases are diagnosed each year. This review focuses on the latest advances in drug delivery systems (DDSs) to address the limitations of current therapies, and discusses the promising features and drawbacks of these advancements. The technical properties, mechanism, and release patterns of incorporated drugs, as well as nanoscale delivery strategies to overcome the blood-brain barrier, are of particular interest.
Review
Pharmacology & Pharmacy
T. Ashwini, Ashlesh Prabhu, Vishal Baliga, Shreesha Bhat, Siddarth T. Thenkondar, Yogendra Nayak, Usha Y. Nayak
Summary: Wound healing is a complex process that can be further complicated in chronic wounds. Nanotechnology has shown great promise in developing advanced wound dressings. This review article provides a comprehensive search strategy and an updated overview of the different types of nanomaterials used in wound dressings. It also highlights the potential benefits of using nanomaterials in wound care and serves as a valuable resource for clinicians, researchers, and patients.
Review
Agriculture, Dairy & Animal Science
A. H. M. Musleh Uddin, Kiro R. Petrovski, Yunmei Song, Sanjay Garg, Roy N. Kirkwood
Summary: Optimal fertility in food-producing animals can be achieved by using exogenous GnRH and agonists to control ovulation timing and promote reproductive success. GnRH administration is used to counter ovarian dysfunction, induce ovulation, and increase conception and pregnancy rates in animals. Exogenous GnRH products are commonly used in pre- and post-breeding programs to enhance fertility and treat reproductive morbidities.
Article
Microbiology
Hang Thi Nguyen, Henrietta Venter, Lucy Woolford, Kelly A. Young, Adam Mccluskey, Sanjay Garg, Sylvia S. Sapula, Stephen W. Page, Abiodun David Ogunniyi, Darren J. Trott
Summary: This study confirms that NCL195 is a potential candidate for treating multidrug-resistant infections, either as a standalone antibiotic for Gram-positive bacteria or in combination with sub-inhibitory concentrations of colistin for Gram-negative bacteria.
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
(2023)
Article
Instruments & Instrumentation
Sadikalmahdi Abdella, Sangseo Kim, Franklin Afinjuomo, Yunmei Song, Richard Upton, Sanjay Garg
Summary: This study optimized and developed buccal film loaded with CBD-NLCs using Design of Experiments (DoE), lipid carriers, and 3D printing techniques. The CBD-NLCs film demonstrated a slow and sustained in vitro release, indicating potential applications for oral drug delivery.
DRUG DELIVERY AND TRANSLATIONAL RESEARCH
(2023)
Review
Pharmacology & Pharmacy
Sangseo Kim, Candace M. Day, Yunmei Song, Amy Holmes, Sanjay Garg
Summary: Non-melanoma skin cancer (NMSC) is a common malignancy globally, and topical treatment is a key management strategy. However, conventional topical treatments often face challenges such as poor drug penetration and patient adherence. To overcome these limitations, researchers have started using advanced topical patches for the treatment of NMSC. This review provides an overview of NMSC and the current landscape of topical treatments, focusing on the emerging technology of topical patches, and discusses their potential to improve existing therapies.
Article
Chemistry, Multidisciplinary
Fatima Abid, Bhumika Savaliya, Ankit Parikh, Sangseo Kim, Marzieh Amirmostofian, Laura Cesari, Yunmei Song, Stephen W. W. Page, Darren J. J. Trott, Sanjay Garg
Summary: In order to improve the clinical management of acne, there is a need for innovative antibacterial therapies that utilize novel mechanisms. This study found that narasin (NAR) has promising antibacterial activity against drug-resistant acne bacteria. By formulating NAR into self-nanomicellizing solid dispersions (SNMSD) and using micelles as drug carriers, the aqueous solubility of NAR was significantly increased and targeted delivery to the lipophilic skin layers was achieved.
