Article
Spectroscopy
Anindita Bhatta, Jahnabi Upadhyaya, Dipak Chamlagai, Lincoln Dkhar, Pynskhemborlang T. Phanrang, Mohan Rao Kollipara, Sivaprasad Mitra
Summary: Derivatives of thiazole-pyrazole fused benzo-coumarin compounds were synthesized and their photophysical properties were investigated. The synthesized coumarin compounds showed potential as therapeutic agents for Alzheimer's disease, inhibiting acetylcholinesterase activity. The presence of human serum albumin was found to affect the inhibition activity.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Chemistry, Physical
Krunal Patel, Poonam Jain, Pradeep Kumar Rajput, Ashok Kumar Jangid, Raghu Solanki, Hitesh Kulhari, Sunita Patel
Summary: The study formulated Piperlongumine-loaded human serum albumin nanoparticles (PLNP) to enhance its therapeutic potential in treating colorectal cancer. The PLNP showed sustained drug release and exhibited higher anticancer efficacy against HCT 116 colorectal cancer cells.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2022)
Article
Biochemistry & Molecular Biology
Kabiru Abubakar Musa, Nor Farrah Wahidah Ridzwan, Saharuddin B. Mohamad, Saad Tayyab
Summary: The binding of lumefantrine to human serum albumin was investigated using various spectroscopic techniques and molecular docking. The results showed moderate binding affinity between lumefantrine and human serum albumin, with the formation of a stable complex. Changes in protein structure and stability upon lumefantrine binding were observed from the spectroscopic results. The preferred binding site of lumefantrine on human serum albumin was identified as Sudlow's Site I in subdomain IIA, supported by molecular docking analysis.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Review
Oncology
Mrinalini Bhosale, Ishtiaq Jeelani, Allah Nawaz, Hitoshi Abe, Subhash Padhye
Summary: The interaction between drugs and proteins is crucial for drug distribution. Human serum albumin (HSA), the most abundant protein in the human body, plays a significant role in the pharmacokinetics of many drugs. This article summarizes the binding properties of some anti-cancer drugs with HSA, specifically highlighting the binding site in subdomain II A, known as Sudlow's site I, where more drugs bind compared to Sudlow's site II.
ANTI-CANCER AGENTS IN MEDICINAL CHEMISTRY
(2022)
Review
Chemistry, Medicinal
Farrukh Zeeshan, Thiagarajan Madheswaran, Jithendra Panneerselvam, Rajeev Taliyan, Prashant Kesharwani
Summary: This article discusses the salient characteristics, design, and categories of albumin-based nanocarriers (ANCs) in the context of their application in cancer management. It also explores the fabrication methods, use in gene, cancer, and multimodal therapy, cancer diagnosis, and imaging of ANCs. Lastly, the article briefly covers the formulations, commercial products, and clinical testing of ANCs.
JOURNAL OF PHARMACEUTICAL SCIENCES
(2021)
Article
Pharmacology & Pharmacy
Zhengxing Su, Jinlong Zhao, Xi Zhao, Jia Xie, Ming Li, Dong Zhao
Summary: A novel albumin-bound docetaxel nanoparticle formulation was developed to improve the solubility and anticancer efficacy of docetaxel. The nanoparticles exhibited similar pharmacokinetic profiles, safety profiles, and superior anticancer efficacy compared to Docetaxel Injection. This study demonstrated the potential of albumin-bound docetaxel nanoparticles for reducing toxicity and enhancing efficacy in clinical applications.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2023)
Review
Chemistry, Physical
Sharmin Siddiqui, Faisal Ameen, Sayeed Ur Rehman, Tarique Sarwar, Mohammad Tabish
Summary: This review focuses on various techniques used to study the binding mechanism between drugs/ligands and serum albumin, as well as discusses the conformational changes induced in serum albumin during the transport process. These techniques provide simple and reliable data for understanding the interaction between therapeutic molecules and proteins.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Biochemistry & Molecular Biology
Himanshu Paliwal, Sunisa Kaewpaiboon, Muhammad Ali Khumaini Mudhar Bintang, Teerapol Srichana
Summary: The binding interaction between cannabidiol (CBD) and human serum albumin (HSA) was studied using surface plasmon resonance, fluorescence spectroscopy, UV-Visible spectrophotometry, and molecular docking. The results showed that CBD bound to HSA at one site in a spontaneous manner to form protein-CBD complexes, with the static mechanism playing a predominant role. The binding constants calculated from fluorescence studies indicated that the hydrophobic force was the major binding interaction. Confirmation of the interaction type and extent was provided using UV-spectroscopy and molecular docking studies.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Multidisciplinary
Haroon Iqbal, Tao Yang, Ting Li, Miya Zhang, Hengte Ke, Dawei Ding, Yibin Deng, Huabing Chen
Summary: Serum protein, a versatile carrier in cancer nanomedicine, has shown superior biocompatibility and targeting capacity. Serum protein-based nanoparticles hold great potential for cancer treatment, but face challenges that need to be addressed for a bright future.
JOURNAL OF CONTROLLED RELEASE
(2021)
Article
Chemistry, Applied
Anindita Bhatta, Prayasee Baruah, Pynskhemborlang T. Phanrang, Grace Basumatary, Ghanashyam Bez, Sivaprasad Mitra
Summary: Multi-pronged spectroscopic techniques were used to study the photophysics and pharmacological activity of nine coumarin derivatives in different solvents. The optical properties of the compounds were found to be influenced by solvent polarity/polarizability and hydrogen bonding. The compounds showed better antiacetylcholinesterase (AChE) activity than the FDA approved drug donepezil for Alzheimer's disease, and could modulate the therapeutic efficacies of potential drugs. The interaction of the compounds with human serum albumin (HSA) was investigated and found to quench the protein fluorescence. The results highlight the importance of evaluating drug effectiveness in biologically relevant media.
Article
Chemistry, Medicinal
Susana Amezqueta, Jose Luis Beltran, Anna Maria Bolioli, Lluis Campos-Vicens, Francisco Javier Luque, Clara Rafols
Summary: The study investigates the interaction between human serum albumin (HSA) and four non-steroidal anti-inflammatory drugs (NSAIDs) through fluorescence quenching and evaluates the binding parameters using the double logarithm Stern-Volmer equation and the STAR program. The combined analysis synergistically interprets the binding of flurbiprofen to HSA based on other complementary techniques and structural information available.
Review
Polymer Science
Viktoria Hornok
Summary: This paper summarizes the research results on serum albumin-based nanoparticles for drug delivery purposes, focusing on their preparation techniques, synthesis parameters, and successful clinical applications. Despite promising possibilities, products made from different types of albumin nanoparticles, with the exception of a few, have not been invented yet. The paper also discusses promising applications of serum albumin nanoparticles for various biomedical purposes, such as carriers, delivery systems, and contrast agents.
Article
Chemistry, Physical
Dipak Chamlagai, Porag Bora, Anindita Bhatta, Jahnabi Upadhyaya, Pynskhemborlang T. Phanrang, Utpal Bora, Sivaprasad Mitra
Summary: A coumarin compound DEAC and its substituted derivative CCF3 were synthesized and characterized. Their photophysical properties were investigated using steady state and time resolved fluorescence spectroscopy. The results showed that the photophysical behavior of both compounds can be modulated by the solvent medium and the presence of sequestering agents like cyclodextrin nanocavities and HSA. The study also revealed the binding affinity of the compounds towards HSA and their potential therapeutic application as anticholinergic agents.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2024)
Article
Biochemistry & Molecular Biology
Safikur Rahman, Sana Iram, Md Tabish Rehman, Afzal Hussain, Arif Tasleem Jan, Jihoe Kim
Summary: This study investigates the interaction between the sodium channel blocker amiloride and human serum albumin. The results show that amiloride specifically binds to a specific site on HSA and the complex is stabilized by van der Waals hydrogen-bonding and hydrophobic interactions. FRET analysis demonstrates that the distance between amiloride and Trp214 is crucial for efficient quenching. UV-Vis spectroscopy and circular dichroism indicate minor structural changes in HSA after binding. Molecular dynamics simulations provide further evidence of stable HSA-AML complex formation.
Article
Biochemical Research Methods
Shirui Yang, Wenxiang Zhang, Zheyi Liu, Ziyang Zhai, Xudong Hou, Ping Wang, Guangbo Ge, Fangjun Wang
Summary: This paper systematically investigates the molecular interactions between HSA and various therapeutic drugs using a mass spectrometry-based strategy, revealing the major ligand binding sites of HSA and newly characterized drug-binding areas. The MS-LRP strategy may have important application prospects in pharmacodynamics, pharmacokinetics, and safety evaluation of small-molecule drugs.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Nabeela Farhat, Abid Ali, Mohd Waheed, Divya Gupta, Asad U. Khan
Summary: Beta-lactam antibiotics are the most effective medications for bacterial infections. The synthesized flavone and coumarin-based isoxazole derivatives have shown potential as broad-spectrum inhibitors of serine-(SBL) and metallo-beta-lactamases (MBL), which can hydrolyze all types of beta-lactams. These compounds have demonstrated good pharmacokinetic properties, non-toxic and non-carcinogenic profiles, and the ability to restore antibiotic efficacy against different classes of beta-lactamases.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Infectious Diseases
Absar Talat, Amina Usmani, Asad U. Khan
Summary: In this study, the presence of the mcr-5.1 gene was identified in sewage water from an Indian hospital for the first time using shotgun metagenomics. The gene was found to be carried by a plasmid in Escherichia coli and its presence in the hospital environment poses a high risk, potentially leading to outbreaks of multidrug-resistant bacterial infections.
MICROBIAL DRUG RESISTANCE
(2022)
Article
Nutrition & Dietetics
Mohd W. W. Azam, Asad U. U. Khan
Summary: This study demonstrates that knocking down the csgD gene can reduce amyloid and biofilm formation, as well as suppress the expression of genes associated with pathogenicity.
FRONTIERS IN NUTRITION
(2022)
Article
Biochemistry & Molecular Biology
Lamya H. Al-Wahaibi, Md Tabish Rehman, Muneera S. M. Al-Saleem, Omer A. Basudan, Ali A. El-Gamal, Mohamed S. A. Abdelkader, Mohamed F. AlAjmi, Wael M. Abdel-Mageed
Summary: The study reveals that certain abyssomicins have strong binding and inhibitory abilities against key proteins of the novel coronavirus, and they possess stable drug-like properties. These abyssomicins are considered potential candidates for further in vitro and in vivo evaluation.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Microbiology
Ayesha Z. Beg, Faraz Rashid, Absar Talat, Mohd Azam Haseen, Nadeem Raza, Kafil Akhtar, Morten Kam Dahl Dueholm, Asad U. Khan
Summary: The Fap operon of Pseudomonas aeruginosa plays a crucial role in pathoadaptation during pulmonary infection. Its presence increases pathogenesis and biofilm sustainability by modulating bacterial physiology. Targeting amyloids could be a potential clinical application to exploit the pathoadaptive role of Fap in pulmonary infections. The genetic conservation and extracellular exposure of Fap make it a commendable target for interventions.
MICROBIOLOGY SPECTRUM
(2023)
Meeting Abstract
Immunology
Brianna Wachter, Kalpana Manthiram, Qin Xu, Lihong Shi, Pamela Schwartzberg, Peter Burbelo, Muhammad Tauseef Rehman, Robin Dewar, Luigi Notarangelo, Ottavia Delmonte
CLINICAL IMMUNOLOGY
(2023)
Review
Pharmacology & Pharmacy
Absar Talat, Asad U. Khan
Summary: Antimicrobial resistance (AMR) is a silent pandemic with high mortality. However, the development of new antibiotics is limited. Artificial intelligence (AI) is a revolutionary approach in drug discovery due to its speed, cost-efficiency, reduced labor requirements, and lower failure rates. AI has been successfully utilized to discover beta-lactamase inhibitors and antibiotic alternatives from various sources. The increasing use of AI platforms by pharmaceutical companies holds the potential to discover efficient antibiotic alternatives with reduced chances of resistance development.
DRUG DISCOVERY TODAY
(2023)
Article
Biochemistry & Molecular Biology
Bhanu Sharma, Md. Tabish Rehman, Mohamed F. AlAjmi, Moayad Shahwan, Tahir Hussain, Varun Jaiswal, Mohd Azhar Khan
Summary: The renin-angiotensin system (RAS) is crucial for regulating arterial pressure and fluid balance, and the angiotensin type 2 receptor (AT2R) plays a protective role in pathophysiological conditions. This study investigated the impact of single nucleotide polymorphisms (SNPs) on AT2R and its interactions with agonist and antagonist molecules. Computational analysis and molecular dynamics simulations revealed that certain mutations affect the protein conformation and ligand binding. These findings have implications for the development of better medications and future in vitro and in vivo studies.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Satyamvada Maurya, Amita Jain, Md Tabish Rehman, Ali Hakamy, Farkad Bantun, Mohamed F. AlAjmi, Vineeta Singh, Aafreen Zehra, Feroz Khan, Shafiul Haque, Bhartendu Nath Mishra
Summary: This study aimed to identify potential new drug targets/candidates for multi-drug-resistant Mycobacterium tuberculosis (Mtb) through computational techniques. The protein structure of ribonuclease VapC2 of Mtb H37Rv was analyzed, and docking studies were performed with 22 anti-TB drugs. Rifampicin showed the best binding energy and was selected as the parent molecule for designing derivatives. One of the derivatives, RIF-155841, showed activity in inhibiting VapC2. Molecular dynamics simulations confirmed the stability of the VapC2-RIF155841 complex, and a chemical synthesis scheme was designed for future validation.
Article
Biochemistry & Molecular Biology
Omar Noman, Fahd A. Nasr, Mohammad Z. Ahmed, Md Tabish Rehman, Wajhul Qamar, Ali S. Alqahtani, Sebastian Guenther
Summary: The aim of this study was to evaluate the anticancer efficacy of chlorojanerin against different cancer cells. The effects of chlorojanerin on cell cytotoxicity, cell cycle arrest, and cell apoptosis were investigated using various assays. RT-PCR was used to analyze the expression levels of apoptosis-related genes. Docking simulations were employed to study the binding preferences of chlorojanerin with Bcl-2. The results showed that chlorojanerin inhibited cell proliferation dose-dependently and had a promising effect against A549 lung cancer cells. The inhibition of cell growth was associated with G2/M phase cell cycle arrest and apoptosis induction. We also found that chlorojanerin altered the expression of genes involved in apoptosis initiation and could fit into the active site of Bcl-2 according to docking simulations. These findings suggest that chlorojanerin has potential as a therapeutic agent in lung cancer treatment.
Article
Biochemical Research Methods
Mohd Sajid Ali, Md Tabish Rehman, Hamad A. Al-Lohedan, Mohamed F. Alajmi
Summary: In this study, the interaction between cuminaldehyde and bovine serum albumin (BSA) was investigated. The formation of the BSA-cuminaldehyde complex was confirmed through spectroscopic measurements. The interaction between cuminaldehyde and BSA followed a static quenching mechanism, with a 1:1 binding ratio, and was enhanced by hydrophobic forces and hydrogen bonding.
JOURNAL OF SPECTROSCOPY
(2023)
Article
Biotechnology & Applied Microbiology
Sahar Zaidi, Khursheed Ali, Yadya M. Chawla, Asad U. Khan
Summary: Bacterial cells are surrounded by a peptidoglycan (PG) cell wall, which is essential for cell integrity and biogenesis pathways. The mltG gene plays a crucial role in the synthesis of peripheral PG and in bacterial virulence. Knocking out the mltG gene in Streptococcus mutans significantly compromised the bacterial growth and virulence potential through dysregulation of important genes involved in biofilm, metabolism, and stress response.
Article
Chemistry, Medicinal
Shaza M. Al-Massarani, Latifah S. Aldurayhim, Ibtisam A. Alotaibi, Mostafa W. M. Abdelmageed, Md Tabish Rehman, Omer A. Basudan, Maged S. Abdel-Kader, Mohamed F. Alajmi, Fatma M. Abdel Bar, Perwez Alam, Maram M. Al Tamimi, Ali A. El Gamal
Summary: Phytochemical investigation of Sisymbrium irio L. led to the isolation of unsaturated fatty acids and indole alkaloids. Compound 3 showed potential PPAR-gamma agonist activity, while compound 8 displayed strong affinity towards 5-HT1A and 5-HT2A receptors. These compounds have the potential to be developed into novel antidiabetic and antipsychotic drugs.
Article
Biochemistry & Molecular Biology
Safikur Rahman, Sana Iram, Md Tabish Rehman, Afzal Hussain, Arif Tasleem Jan, Jihoe Kim
Summary: This study investigates the interaction between the sodium channel blocker amiloride and human serum albumin. The results show that amiloride specifically binds to a specific site on HSA and the complex is stabilized by van der Waals hydrogen-bonding and hydrophobic interactions. FRET analysis demonstrates that the distance between amiloride and Trp214 is crucial for efficient quenching. UV-Vis spectroscopy and circular dichroism indicate minor structural changes in HSA after binding. Molecular dynamics simulations provide further evidence of stable HSA-AML complex formation.
Article
Biochemistry & Molecular Biology
Deema Hussein, Mohamad Saka, Saleh Baeesa, Mohammed Bangash, Fahad Alghamdi, Torki Al Zughaibi, Mohamed F. Alajmi, Shafiul Haque, Md Tabish Rehman
Summary: In this study, new drug candidates that may function as KIF2C enzyme inhibitors were discovered. Through virtual screening and molecular docking experiments, the best compounds that bind with KIF2C protein were identified and further analyzed for stability and energy contribution. These findings indicate the potential of these compounds to inhibit the biological function of KIF2C and call for further research.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)