Article
Chemistry, Applied
Hemanjali Mude, Pranay Amruth Maroju, Aniket Balapure, Ramakrishnan Ganesan, Jayati Ray Dutta
Summary: By treating caffeic acid with dopamine hydrochloride, a water-soluble acid-base complex was obtained which demonstrated excellent bactericidal and anticancer properties within a specific pH range. This simple acid-base complex of CA shows high potential in diverse domains.
Article
Chemistry, Physical
Ajit Kumar Bishoyi, Monalisa Mahapatra, Sudhir Kumar Paidesetty, Rabindra Nath Padhy
Summary: Research has designed and synthesized a series of novel antibacterial and antifungal compounds, some of which have shown significant inhibition activity, indicating their potential as new drug candidates.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Multidisciplinary Sciences
Yingfu Lin, Rui Zhang, Di Wang, Tim Cernak
Summary: Efficient chemical synthesis is crucial for meeting the future demands of pharmaceuticals, materials, and agrochemicals. While the automation of retrosynthetic analysis for moderately complex molecules has been ongoing for decades, the vast number of possible routes has posed challenges for computer hardware and software until recently. In this study, we introduce a computational strategy that combines computer-aided synthesis planning with molecular graph editing to minimize the synthetic steps needed for producing alkaloids. Through the utilization of high-impact key steps identified in computer-generated retrosynthesis plans using graph edit distances, we have successfully achieved an enantioselective three-step synthesis of (-)-stemoamide.
Article
Pharmacology & Pharmacy
Giselle A. A. Borges e Soares, Tanima Bhattacharya, Shivalingrao Mamledesai, Zhaoquan Ai, Alexandru Madalin Hasan, Simona Cavalu
Summary: A series of compounds similar to the anticancer agent Linomide were synthesized and evaluated for their anticancer activity. Compound 4b showed high cytotoxicity, but lower than the standard drug Paclitaxel. Docking studies revealed that Compound 4b had good binding affinity at the active site of EGFRK.
FRONTIERS IN PHARMACOLOGY
(2022)
Article
Biochemistry & Molecular Biology
Sara Janowska, Sylwia Andrzejczuk, Piotr Gawrys, Monika Wujec
Summary: A series of novel Mannich bases were synthesized and evaluated for their antimicrobial activity against bacteria and yeasts. The compounds exhibited significant activity against Gram-positive bacteria, including staphylococci, as well as selected strains of Gram-negative bacteria. They also showed high fungistatic activity against Candida spp. yeasts. In addition, in silico studies suggested that the tested compounds have good oral bioavailability. Overall, these findings provide valuable data for further research on these compounds.
Article
Chemistry, Organic
Kay Merkens, Francisco Jose Aguilar Troyano, Khadijah Anwar, Adrian Gomez-Suarez
Summary: This study presents a highly efficient light-mediated deoxygenative protocol for the synthesis of gamma-oxo-alpha-amino acid derivatives, achieving an average yield of around 60% with a variety of functional groups. The methodology's utility is further demonstrated through several deprotection and derivatization reactions.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Aisha Y. Hassan, Eman S. Abou-Amra, Samiha A. El-Sebaey
Summary: Two series of chiral novel compounds were designed and synthesized using a one-pot double Mannich-type reaction. Compound 3d and 5d demonstrated strong antitumor activity against a wide range of cancers, especially breast cancer. Both compounds showed COX-2 inhibition activity in the nanomolar range and induced apoptosis. Molecular docking studies showed a high affinity for the COX-2 receptor.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Medicinal
Tania S. Morais, Fernanda Marques, Paulo J. Amorim Madeira, Maria Paula Robalo, Maria Helena Garcia
Summary: New water-soluble Ru(II) organometallic complexes with potential anticancer activity were synthesized and characterized. These complexes showed promising antiproliferative potential on breast adenocarcinoma, ovarian carcinoma, and colorectal adenocarcinoma cell lines. Additionally, their interaction with human serum albumin was evaluated, highlighting their ability to strongly quench the intrinsic fluorescence of albumin.
Article
Chemistry, Organic
Fang-Fang Feng, Xue-Qi Wang, Long Sun, Chi Wai Cheung, Jing Nie, Jun-An Ma
Summary: The study presents a Cu-bisoxazoline-catalyzed enantioselective decarboxylative aldol reaction for the synthesis of a series of phaitanthrin A analogues, with both enantiomers of the products obtainable with good to high enantioselectivity by simply changing copper salts. Tentative stereochemical models based on X-ray crystallographic analysis of chiral Cu(II)-bisoxazoline complexes explain the observed counteranion-induced switching in enantioselectivity.
Article
Chemistry, Multidisciplinary
Yildiz Uygun Cebeci, Sule Ceylan, Muhammed Altun, Sengul Alpay Karaoglu
Summary: A series of 1,2,4-triazole derivatives were synthesized and their antimicrobial activity was tested. The results showed that these newly synthesized compounds exhibited excellent antimicrobial properties against various tested microorganisms and showed potential antiproliferative activity against HeLa cervical cancer cells.
Article
Engineering, Chemical
Jongjit Chalitangkoon, Arnat Ronte, Pathavuth Monvisade
Summary: The study found that the modified water-soluble chitosan-based polymeric dyes (WCSPDs) exhibited excellent color-sensing characteristics, lower crystallinity, and lower thermal stability. These derivatives dissolved in water over a wide range of pH values and displayed coloring properties, while remaining non-toxic. This study highlighted the potential of WCSPDs as sensor materials.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2023)
Article
Biochemistry & Molecular Biology
Balint Lorinczi, Peter Simon, Istvan Szatmari
Summary: This study presents a new synthesis method for triarylmethane derivatives containing two biologically potent skeletons through the Mannich reaction. It may contribute to the synthesis of new neuroprotective compounds.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemistry & Molecular Biology
F. M. Mashood Ahamed, Barkha Shakya, Sonam Shakya
Summary: The novel Mannich base benzimidazole derivative CB-1 was designed and synthesized. It was found to interact with human serum albumin (HSA) and showed potential in antimicrobial screening. Molecular docking and density functional theory analysis further confirmed the experimental results.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Polymer Science
Fusun Seyma Gungor
Summary: A compound with a phenolic group was successfully synthesized and subjected to Mannich reactions with primary amine compounds and paraformaldehyde, resulting in three thermally polymerizable naphthoxazines with high yields. The structures of the exchange products were characterized using analytical techniques and the ring-opening polymerization behavior was investigated.
EUROPEAN POLYMER JOURNAL
(2023)
Review
Biochemistry & Molecular Biology
Oszkar Csuvik, Istvan Szatmari
Summary: 8-hydroxyquinoline (oxine) is a well-known and frequently used chelating agent with pharmacological effects that have been studied since the 19th century. The Mannich reaction is a commonly used method to modify its core molecule, which requires mild reaction conditions and simple chemical reagents. This review focuses on the synthesis of aminomethylated 8-hydroxyquinolines via the modified Mannich reaction, utilizing 8-hydroxyquinoline, formaldehyde, and various amines.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Medicinal
Rinky Raghuvanshi, Sandip B. Bharate
Summary: Kinases are therapeutic targets involved in various diseases. FDA approved kinase inhibitors have shown potential in treating viral infections and possess broad-spectrum antiviral activity.
JOURNAL OF MEDICINAL CHEMISTRY
(2022)
Review
Chemistry, Medicinal
Deendyal Bhurta, Sandip B. Bharate
Summary: This paper investigates the important role of the styryl group in medicinal chemistry, pointing out the advantages and disadvantages of styryl compounds in drugs, and discusses their impact on biological activity.
Article
Chemistry, Medicinal
Vijay K. Nuthakki, Ramesh Mudududdla, Sandip B. Bharate
Summary: Indoloquinoline (IQ) is an important class of naturally occurring antimalarial alkaloids, with a structural framework consisting of four isomeric ring systems. Aminoalkylation plays a critical role in improving the therapeutic window and biological activity of IQs.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2022)
Review
Chemistry, Medicinal
Deendyal Bhurta, Sandip B. Bharate
Summary: This article critically analyzed the chemical diversity of CDK inhibitors, with amino-pyrimidine being the most represented scaffold. The discussion included selectivity aspects among CDKs, dose-limiting toxicities in clinical trials, and the most advanced clinical candidates. The article also touched on the changing paradigm towards selective inhibitors and provided an overview of ATP-binding pockets of all druggable CDKs.
MEDICINAL RESEARCH REVIEWS
(2022)
Article
Biotechnology & Applied Microbiology
Augustin Ntemafack, Sajad Ahmed, Amit Kumar, Rekha Chouhan, Nitika Kapoor, Sandip B. Bharate, Qazi Parvaiz Hassan, Sumit G. Gandhi
Summary: The research revealed that streptomycetes isolated from Rumex dentatus and BIBP are effective growth-promoting agents that can be utilized as bio-fertilizers in agriculture to enhance the growth and productivity of rice.
APPLIED MICROBIOLOGY AND BIOTECHNOLOGY
(2022)
Article
Multidisciplinary Sciences
Kathleen Shah, Muralidhara Rao Maradana, M. Joaquina Delas, Amina Metidji, Frederike Graelmann, Miriam Llorian, Probir Chakravarty, Ying Li, Mauro Tolaini, Michael Shapiro, Gavin Kelly, Chris Cheshire, Deendyal Bhurta, Sandip B. Bharate, Brigitta Stockinger
Summary: The aryl hydrocarbon receptor (AHR) plays a crucial role in regulating physiological processes in the intestine, influencing tissue regeneration and the acquisition of mature epithelial cell identity after injury.
NATURE COMMUNICATIONS
(2022)
Review
Chemistry, Analytical
Deepank S. Gupta, Sonali S. Bharate
Summary: Niclosamide is a widely used antiparasitic drug for both humans and animals, and it has recently gained attention as a potential antiviral agent for treating coronavirus disease. However, its potential toxicities in the environment call for monitoring its residual concentration in food and pharmaceuticals. This review investigates the techniques used for analyzing Niclosamide and discusses the future prospects of green analytical methods.
SEPARATION SCIENCE PLUS
(2022)
Article
Chemistry, Medicinal
Baljinder Singh, Amrita Sharma, Naresh Gunaganti, Mitch Rivers, Pradip K. Gadekar, Brady Greene, Michael Chichioco, Carlos E. Sanz-Rodriguez, Courtney Fu, Catherine LeBlanc, Erin Burchfield, Nyle Sharif, Benjamin Hoffman, Gaurav Kumar, Andrei Purmal, Kojo Mensa-Wilmot, Michael P. Pollastri
Summary: To develop a candidate drug against human African trypanosomiasis (HAT), researchers synthesized new analogs and evaluated their properties. Eight new compounds with higher or equivalent selectivity indices were identified. Two compounds, 5v and 5w, were tested in a mouse model of HAT, and 5v showed a lead-like profile for drug development while 5w lacked efficacy. These findings will guide further optimization of carbazoles for HAT and other indications.
JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Jigar S. Bhanushali, Sonali S. Bharate
Summary: This study aimed to investigate the solubility of niclosamide in different solvents and cosolvents, and found its maximum solubility, phase changes, and the correlation between solubility and molecular electrostatic potential. This data is valuable for the drug development teams working on this medication.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Biochemistry & Molecular Biology
Vijay K. Nuthakki, Sushil Choudhary, Chilakala N. Reddy, Shipra Bhatt, Ashiya Jamwal, Anshika Jotshi, Rinky Raghuvanshi, Ankita Sharma, Shikha Thakur, Hemant R. Jadhav, Sonali S. Bharate, Utpal Nandi, Ajay Kumar, Sandip B. Bharate
Summary: The complex and multifaceted nature of Alzheimer's disease has led to a demand for ligands that can target multiple pathways. Embelin, a secondary metabolite of Indian traditional herb Embelia ribes Burm f., has been found to inhibit cholinesterases (ChEs) and BACE-1, but it has poor ADME properties. In this study, embelin-aryl/alkyl amine hybrids were synthesized to improve its physicochemical properties and therapeutic potency. The most active derivative, 9j (SB-1448), exhibited inhibitory activity against ChEs and BACE-1, good ADME properties, and protection against scopolamine-induced cell death.
ACS CHEMICAL NEUROSCIENCE
(2023)
Article
Chemistry, Applied
Suruchi Gupta, Malvi Choudhary, Baljinder Singh, Manoj Kushwaha, Manoj K. Dhar, Sanjana Kaul
Summary: Two compounds, glaucanic acid and dihydrocompactin acid, were isolated from the endophytic fungus Penicillium polonicum and characterized by NMR and mass spectroscopy. Both compounds exhibited antifungal, antioxidant, and cytotoxicity activities. This is the first report on the biological activities of dihydrocompactin acid produced by an endophytic fungal strain.
NATURAL PRODUCT RESEARCH
(2023)
Article
Pharmacology & Pharmacy
Dilpreet Kour, Mehboob Ali, Parul Khajuria, Kuhu Sharma, Palash Ghosh, Sukhleen Kaur, Surbhi Mahajan, P. Ramajayan, Sonali S. Bharate, Subhash Bhardwaj, Sanghapal D. Sawant, D. Srinivasa Reddy, Ajay Kumar
Summary: Sickle cell disease (SCD) is characterized by complications arising from the sickling of erythrocytes due to a point mutation in the beta-globin chain of hemoglobin. Flurbiprofen, a COX-2 inhibitor, was found to be a potent inhibitor of heme-induced NLRP3 inflammasome, providing potential for pain management and disease modification in SCD.
FRONTIERS IN PHARMACOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Deepank S. Gupta, Pankul Kotwal, Utpal Nandi, Sonali S. Bharate
Summary: This study explores the potential of beta-cyclodextrin and its derivatives for enhancing the dissolution of niclosamide. Among the cyclodextrins studied, 2-Hydroxypropyl-beta-cyclodextrin in the 1:2 molar ratio shows the most significant improvement in water solubility and in-vitro dissolution of niclosamide. Oral administration of the niclosamide and HP-beta-CD complex in rats resulted in higher plasma exposure. Spectral characterization provides insights into the interactions between niclosamide and HP-beta-CD.
Article
Chemistry, Medicinal
Baljinder Singh, Amrita Sharma, Naresh Gunaganti, Mitch Rivers, Pradip K. Gadekar, Brady Greene, Michael Chichioco, Carlos E. Sanz-Rodriguez, Courtney Fu, Catherine LeBlanc, Erin Burchfield, Nyle Sharif, Benjamin Hoffman, Gaurav Kumar, Andrei Purmal, Kojo Mensa-Wilmot, Michael P. Pollastri
Summary: New analogs of the carbazole CBL0137 were synthesized and evaluated, resulting in the discovery of eight compounds with higher or equivalent selectivity indices. Among them, 5v demonstrated potential for drug development against human African trypanosomiasis (HAT), while 5w showed lack of efficacy. Lessons from these studies will guide further optimization of carbazoles for HAT and other indications.
JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Correction
Chemistry, Multidisciplinary
Shreyans K. Jain, Anup S. Pathania, Rajinder Parshad, Chandji Raina, Asif Ali, Ajai P. Gupta, Manoj Kushwaha, Subrayashastry Aravinda, Shashi Bhushan, Sandip B. Bharate, Ram A. Vishwakarma
Summary: Correction is made for the study on the antileukemic naphthocoumarins, Chrysomycins A-C, from Streptomyces sporoverrucosus by Shreyans K. Jain et al. in 2013. The authors further discovered new antileukemic synthetic compounds from the Streptomyces sporoverrucosus and characterized them.
Article
Chemistry, Medicinal
Shibin Zhao, Julian Maceren, Mia Chung, Samantha Stone, Raphael Geiben, Melissa L. Boby, Bradley S. Sherborne, Derek S. Tan
Summary: Antibiotic resistance is a major threat to public health, with Gram-negative bacteria presenting unique challenges due to their low permeability and efflux pumps. Limited understanding of the chemical rules for overcoming these barriers hinders antibacterial drug discovery. Efforts to address this issue, such as screening compound libraries and using cheminformatic analysis, have led to the design of sulfamidoadenosines with diverse substituents, showing potential utility in accumulation in Escherichia coli.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
Article
Chemistry, Medicinal
Jichun Li, Qing Li, Shuai Xia, Jiahuang Tu, Longbo Zheng, Qian Wang, Shibo Jiang, Chao Wang
Summary: This study successfully developed a short peptide mimetic as a MERS-CoV fusion inhibitor by reproducing the key recognition features of the HR2 helix. The resulting 23-mer lipopeptide showed comparable inhibitory effect to the 36-mer HR2 peptide HR2P-M2. This has important implications for developing short peptide-based antiviral agents to treat MERS-CoV infection.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
Article
Chemistry, Medicinal
Krista Jaunsleine, Linda Supe, Jana Spura, Sten van Beek, Anna Sandstrom, Jessica Olsen, Carina Halleskog, Tore Bengtsson, Ilga Mutule, Benjamin Pelcman
Summary: Beta(2)-adrenergic receptor agonists can stimulate glucose uptake by skeletal muscle cells and are therefore potential treatments for type 2 diabetes. The chirality of compounds has a significant impact on the activity of these agonists. This study found that certain synthesized compounds showed higher glucose uptake activity. These findings provide important information for the design of novel beta(2)AR agonists for T2D treatment.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
Article
Chemistry, Medicinal
Xin Xu, Jia Chen, Guan Wang, Xiaojuan Zhang, Qiang Li, Xiaobo Zhou, Fengying Guo, Min Li
Summary: The study focuses on EZH2, a promising therapeutic target for various types of cancers. Researchers designed and synthesized a series of novel derivatives aiming to enhance the EZH2 inhibition activity. Among them, compound 28 displayed potent EZH2 inhibition activity and showed high anti-proliferative effects in lymphoma cell lines and xenograft mouse models. The study suggests that compound 28 has potential as a therapeutic candidate for EZH2-associated cancers.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
Article
Chemistry, Medicinal
Wei Zhang, Wei Liu, Ya-Dong Zhao, Li-Zi Xing, Ji Xu, Rui-Jun Li, Yun-Xiao Zhang
Summary: This study developed a series of aromatic amide derivatives based on Rhein and investigated their inhibitory activity against alpha-Syn aggregation. Two of these compounds showed promising potential in treating Parkinson's disease by stabilizing alpha-Syn's conformation and disassembling alpha-Syn oligomers and fibrils.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
Article
Chemistry, Medicinal
Mani Sharma, S. S. S. S. Sudha Ambadipudi, Neeraj Kumar Chouhan, V. Lakshma Nayak, Srihari Pabbaraja, Sai Balaji Andugulapati, Ramakrishna Sistla
Summary: Therapeutically active lipids in drug delivery systems can enhance the safety and efficacy of treatment. The liposome formulation created using synthesized biologically active lipids showed additive anti-cancer effects and reduced tumorigenic potential.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
