Article
Chemistry, Inorganic & Nuclear
Paulpandiyan Rajakkani, Arunadevi Alagarraj, Senthil A. Gurusamy Thangavelu
Summary: A new tetraaza macrocyclic Knoevenagel Schiff base and its metal complexes were synthesized and characterized, showing potential biological activities and binding properties with DNA. Multiple spectroscopic and analytical techniques were used to study the compounds, including experiments to determine the type of binding with nucleic acids.
INORGANIC CHEMISTRY COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Amal A. AL-Sharabi, Sana Saffour, Asaf Evrim Evren, Gizem Bayazit, Gulsah Congur, Ulkuye Dudu Gul, Leyla Yurttas
Summary: This study focused on the synthesis, in vitro antimicrobial activity, electrochemical studies, in silico pharmacokinetic ADME parameters, molecular docking, and molecular dynamic simulations of several 1,3,4-oxadiazole derivatives. Compounds 4d and 4f exhibited similar antibacterial activity to azithromycin against E. faecalis and E. coli, respectively, while three compounds showed antifungal activity against C. parapsilopsis. Furthermore, compounds 4d, 4f, and 4i disrupted the structure of double stranded DNA (dsDNA), but compound 4h was unable to bind to dsDNA. The structure-activity relationship (SAR) of compounds 4f and 4d was elucidated through molecular modeling studies.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
A. S. El-Tabei, M. A. Hegazy, A. H. Bedair, N. M. El Basiony, M. A. Sadeq
Summary: Two compounds were synthesized via Mannich reaction and novel cationic surfactants were obtained. The study found that one of the surfactants showed better performance in corrosion inhibition and antimicrobial activity, providing effective protection for steel surfaces.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Biochemistry & Molecular Biology
Nisha Kamra, Suman Rani, Sumit Thakral, Ajeet Singh, Payare L. Sangwan, Shashank K. Singh, Samridhi Thakral, Vikramjeet Singh, Devinder Kumar
Summary: In this study, a series of novel heterocyclic chalcones were synthesized and screened for their cytotoxic and antimicrobial activity. Some of the heterocyclic chalcones showed good cytotoxicity and antimicrobial activity. Molecular docking results revealed multiple interactions between the synthesized heterocyclic chalcones and their respective biochemical targets.
CHEMISTRY & BIODIVERSITY
(2022)
Article
Chemistry, Medicinal
Muhammed Tilahun Muhammed, Gulcan Kuyucuklu, Fatma Kaynak-Onurdag, Esin Aki-Yalcin
Summary: This study aimed to synthesize benzoxazole derivatives and investigate their antimicrobial activity and mechanism of action through antimicrobial susceptibility testing and computational analysis. The results showed that benzoxazole derivatives without a methylene bridge exhibited higher antimicrobial activity by inhibiting DNA gyrase. The compounds also demonstrated favorable pharmacokinetic properties. Further in vitro or in vivo studies are recommended to validate the findings from molecular modeling.
LETTERS IN DRUG DESIGN & DISCOVERY
(2022)
Article
Chemistry, Physical
R. Muthukumar, M. Karnan, N. Elangovan, M. Karunanidhi, Vidya Sankarapandian, K. Venkateswaran
Summary: In this study, a compound M1, (E)-4-(benzylideneamino)benzenesulfonamide, was successfully synthesized and characterized using various techniques. Theoretical studies and computational simulations revealed that the compound exhibits excellent bioactivity and binding energy. Additionally, antimicrobial activity studies demonstrated its high antibacterial activity.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Biochemistry & Molecular Biology
Kinga Paruch, Anna Biernasiuk, Dmytro Khylyuk, Roman Paduch, Monika Wujec, Lukasz Popiolek
Summary: In this research, a series of acylhydrazones and 1,3,4-oxadiazoline derivatives were synthesized and tested for their antimicrobial activity. Some compounds showed promising activity against Gram-positive bacteria without cytotoxicity to normal cell lines. These compounds or their derivatives may be used in the future for the prevention and treatment of infections caused by pathogenic or opportunistic microorganisms.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Physical
Meryem Erol, Ismail Celik, Gulcan Kuyucuklu
Summary: In this study, new benzoxazole derivatives were synthesized and their antimicrobial activities were investigated against various bacteria and fungi. Molecular docking and dynamics simulations showed that some compounds interacted well with the DNA gyrase enzyme. Additionally, the predicted ADME profiles of the compounds were in line with important drug design rules.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Biochemistry & Molecular Biology
Katrina Browne, Rajesh Kuppusamy, Renxun Chen, Mark D. P. Willcox, William R. Walsh, David StC Black, Naresh Kumar
Summary: Prevention and treatment of biofilm-mediated infections on medical devices are still unmet clinical needs. This study presents a versatile and simple polydopamine surface coating technique using a new class of antibiotics-antimicrobial peptidomimetics to prevent biofilm formation on implantable medical devices. The study assessed the anti-biofilm activity of peptidomimetics, characterizes their surface chemistry, quantifies their antibacterial activity, and evaluates the biocompatibility of the coated materials. Results showed that the peptidomimetic coatings completely eradicated S. aureus on surfaces and had variable activity against Gram-negative bacteria. The study provides a simple and effective antibacterial coating strategy for biomaterials to reduce biofilm-mediated infections.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemistry & Molecular Biology
Tsz Tin Yu, Rajesh Kuppusamy, Muhammad Yasir, Md. Musfizur Hassan, Manjulatha Sara, Junming Ho, Mark D. P. Willcox, David StC. Black, Naresh Kumar
Summary: Peptidomimetics have emerged as a new class of antibacterial agents to combat drug-resistant bacteria. By incorporating hydrophobic and hydrophilic groups into a glyoxamide core, the synthesized compounds showed effective inhibition against Staphylococcus aureus and Escherichia coli biofilms without toxicity to human cells.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Physical
Suresh S. Kumbar, Arun Shettar, Shrinivas D. Joshi, Siddappa A. Patil
Summary: A series of new coumarino-azetidinones were designed, synthesized, and evaluated for antitubercular and antimicrobial activities. The compounds showed promising activity against Mycobacterium tuberculosis and some displayed interesting antimicrobial effects. The most active compounds exhibited low cytotoxicity and had excellent interactions with specific mutant enzymes.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
S. Senthilkumar, J. Seralathan, G. Muthukumaran
Summary: The (E)-4-amino-N'-(substituted benzylidene) benzohydrazides were synthesized and characterized, with antibacterial and docking studies conducted. The results indicated that electron donating and electron withdrawing groups play important roles in the antibacterial and antifungal activities of the compounds 1-8, respectively.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Biochemistry & Molecular Biology
Murugesan Sankarganesh, Rajadurai Vijay Solomon, Jeyaraj Dhaveethu Raja
Summary: A new monometallic platinum complex was successfully synthesized and characterized by various techniques; structural and property studies were conducted through experiments and calculations; the research findings demonstrate the superior performance of the platinum complex in areas such as anticancer, antioxidant, and antimicrobial activities.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Chemistry, Medicinal
Ramesh Gondru, Sirisha Kanugala, Sneha Raj, C. Ganesh Kumar, Mukesh Pasupuleti, Janardhan Banothu, Rajitha Bavantula
Summary: A new series of triazole-thiazole hybrids were synthesized and evaluated for their in vitro antimicrobial activity, showing promising inhibitory effects against bacterial and Candida strains. Compounds 8i, 8k, and 8l demonstrated significant biofilm inhibitory activity against Bacillus subtilis and Staphylococcus aureus.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2021)
Article
Biochemistry & Molecular Biology
Yunierkis Perez-Castillo, Ricardo Carneiro Montes, Cecilia Rocha da Silva, Joao Batista de Andrade Neto, Celidarque da Silva Dias, Allana Brunna Sucupira Duarte, Helio Vitoriano Nobre Junior, Damiao Pergentino de Sousa
Summary: This study synthesized cinnamic and benzoic acid amides and tested their inhibitory effects against Candida strains. Compound 16 showed strong antifungal activity and a potential multi-target mechanism of action, involving proteins related to critical cellular processes.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Physical
Ibtissem Kadi, Güldeniz Sekerci, Houssem Boulebd, Zineddine Zebbiche, Suat Tekin, Hasan Kucukbay, Fatümetüzzehra Kucukbay, Taoues Boumoud
Summary: In this study, a series of novel poly-heterocyclic compounds containing pyridine and furan moieties were synthesized and characterized. The electronic properties, reactivity, cytotoxicity, and pharmacokinetic properties of these compounds were evaluated using experimental and computational methods. The results showed that some of the compounds exhibited potent cytotoxicity and displayed excellent affinity for the active site of the human topoisomerase II ss enzyme.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Review
Biochemistry & Molecular Biology
Siva S. Panda, Marian N. Aziz, Jacek Stawinski, Adel S. Girgis
Summary: Azomethine ylides are frequently used three-atom components in nitrogen-based [3+2]-cycloaddition reactions with a variety of unsaturated 2 pi-electron components. These reactions demonstrate remarkable regio- and stereoselectivity and have attracted organic chemists' interest in constructing diverse heterocycles with four contiguous stereogenic centers. This review article summarizes the significant [3+2]-cycloaddition reactions of azomethine ylides with various olefinic, unsaturated 2 pi-electron components (acyclic, alicyclic, heterocyclic, and exocyclic ones) reported in the past two decades.
Review
Biochemistry & Molecular Biology
Siva S. S. Panda, Adel S. S. Girgis, Marian N. N. Aziz, Mohamed S. S. Bekheit
Summary: This article summarizes the recent developments in the synthesis of natural and synthetic spirooxindole-containing compounds from isatin or its derivatives, categorizing them based on their mentioned biological properties.
Review
Biochemistry & Molecular Biology
Angela C. C. Spencer, Siva S. S. Panda
Summary: Bacterial DNA gyrase is a clinically-relevant target for the development of new antibacterials. However, currently used quinolones are becoming less effective due to drug resistance.
Article
Biochemistry & Molecular Biology
Aya Y. Rashad, Hoda G. Daabees, Mohamed Elagawany, Mohamed Shahin, Ahmed E. Abdel Moneim, Sherif A. F. Rostom
Summary: The treatment of gout involves reducing uric acid levels and alleviating inflammation. A study synthesized a series of seven ester prodrugs combining the hypouricemic effect of febuxostat and the anti-inflammatory properties of NSAIDs. These prodrugs showed similar or superior activity to their parent drugs in both hypouricemic and anti-inflammatory effects, with good gastrointestinal safety. One prodrug, FEB-DIC, demonstrated excellent dual activity in vivo, compared to the parent drugs and their physical mixture. The mutual prodrug approach can successfully overcome difficulties without losing the desired activities of parent drugs.
BIOORGANIC CHEMISTRY
(2023)
Review
Chemistry, Medicinal
Mohamed S. Bekheit, Siva S. Panda, Adel S. Girgis
Summary: This study highlights the most promising repurposed drugs targeting SARS-CoV-2 RdRp, including natural and synthetic agents. However, the lack of in vitro and in vivo experimental data has hindered the application of many in silico predicted agents in drug discovery programs.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Ahmed A. A. Al-Karmalawy, Dalia S. S. El-Gamil, Rabeh El-Shesheny, Marwa Sharaky, Radwan Alnajjar, Omnia Kutkat, Yassmin Moatasim, Mohamed Elagawany, Sara T. T. Al-Rashood, Faizah A. A. Binjubair, Wagdy M. M. Eldehna, Ayman M. M. Noreddin, Mohamed Y. Y. Zakaria
Summary: In this study, emulsomes (EMLs) were used to encapsulate N-(5-nitrothiazol-2-yl)-carboxamido derivatives (3a-3g) in order to enhance their biological availability and antiviral activity. The cytotoxicity and anti-SARS-CoV-2 activities of the compounds loaded EMLs (F3a-g) were evaluated in Vero E6 cells, and the most potent F3e exhibited an IC50 value of 0.73 μg/mL with a selectivity index of 18. Furthermore, a combination of virucidal, viral adsorption, and viral replication inhibition was observed for F3e.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Waleed A. A. Badawi, Mahmoud Rashed, Alessio Nocentini, Alessandro Bonardi, Mohammad M. M. Abd-Alhaseeb, Sara T. T. Al-Rashood, Giri Babu Veerakanellore, Taghreed A. A. Majrashi, Eslam B. B. Elkaeed, Bahaa Elgendy, Paola Gratteri, Claudiu T. T. Supuran, Wagdy M. M. Eldehna, Mohamed Elagawany
Summary: In this study, new pyridazine-based sulphonamides were developed as potential multi-target anti-inflammatory drugs, which can inhibit the CA, COX-2, and 5-LOX enzymes simultaneously, avoiding the drawbacks of using NSAIDs alone.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
(2023)
Editorial Material
Chemistry, Organic
Siva S. S. Panda
MINI-REVIEWS IN ORGANIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Riham M. Bokhtia, Siva S. Panda, Adel S. Girgis, Nermin Samir, Mona F. Said, Anwar Abdelnaser, Soad Nasr, Mohamed S. Bekheit, Abdelhameed S. Dawood, Horrick Sharma, Margaret Wade, Swapnil K. Sharma, Amany M. Ghanim
Summary: New ibuprofen and indomethacin conjugates were synthesized using click chemistry, showing potential as drug candidates for pain and inflammation. Among the synthesized conjugates, four showed significant anti-inflammatory properties without ulcerogenic effects. The anti-inflammatory properties were supported by the suppression of cytokines and NO. Some conjugates also exhibited analgesic activity, and one compound showed selectivity for COX-2 over COX-1. Molecular modeling studies described the observed biological properties.
Article
Chemistry, Medicinal
Mohamed S. Bekheit, Siva S. Panda, Benson M. Kariuki, Sara H. Mahmoud, Ahmed Mostafa, Adel S. Girgis
Summary: Microwave-assisted reaction of 3,5-bis((E)-ylidene)-1-phosphonate-4-piperidones 3a-g with azomethine ylide resulted in the synthesis of (dispiro[indoline-3,2'-pyrrolidine-3',3''-piperidin]-1''-yl)phosphonates 6a-l with high yields. Crystal X-ray studies confirmed the structure of the synthesized compounds. Some of the compounds showed promising anti-SARS-CoV-2 properties in Vero-E6 cell technique. Compounds 6g and 6b exhibited the most potential with considerable selectivity index values. Mpro-SARS-CoV-2 inhibitory properties and docking studies supported the observed anti-SARS-CoV-2 activities of the analogs.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Review
Biochemistry & Molecular Biology
Devan Buchanan, Ashley M. Pham, Sandeep K. Singh, Siva S. Panda
Summary: Click chemistry is an efficient tool for modifying alkaloids in drug development, with significant implications and potential applications. Recent advancements and the use of computational methods in evaluating the properties of hybrid molecules have contributed to the progress in this field.
Article
Chemistry, Organic
Faiza Diaba, Gisela Trenchs
Summary: The first violet light-mediated synthesis of gamma- and delta-lactams from N-alkenyl trichloroacetamides is reported in this paper. The reactions are conducted in tetrahydrofuran or 2-methyltetrahydrofuran as the sole solvent without catalysts or additives, under non-anhydrous conditions in an air atmosphere where the solvent serves as the radical initiator.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Feroze Hussain, Sajjad Ahmed, Ashiq Hussain Padder, Qazi Naveed Ahmed
Summary: This study reports a novel and efficient one-pot synthesis method for mixed phosphorotrithioates, which does not require supplementary additives and shows broad applicability.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Hyunjin Oh, Ikyon Kim
Summary: A new 1,2,4-triazole-pyrrolo[1,2-a]pyrazine hybrid system, 6-acylpyrrolo[1,2-a][1,2,4]triazolo[5,1-c]pyrazine, was synthesized using a catalyst-free method. This method involved sequential exposure of pyrrole-2-carbonitrile-derived substrates to DMF-DMA and acyl hydrazide, resulting in the formation of acylated pyrazine and 1,2,4-triazole rings, enabling the installation of various substituents at specific positions on the core skeleton.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Ming Yan, Si-fan Wang, Yong-po Zhang, Jin-zhong Zhao, Zhuo Tang, Guang-xun Li
Summary: Here we developed an efficient photocatalytic approach for the convenient preparation of sulfinamides. The reaction allows for the gram-scale preparation of sulfinamides and the one-pot synthesis of various sulfonyl amides.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Farzaneh Bandehali-Naeini, Zahra Tanbakouchian, Noushin Farajinia-Lehi, Nicolas Mayer, Morteza Shiri, Martin Breugst
Summary: Two tandem catalytic systems were developed for the synthesis of novel 3,4-disubstituted maleimides using the same Ugi adducts. Different maleimide structures can be synthesized using either Pd or Cu catalysis.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Tanya Raghava, Anjan Chattopadhyay, Subhadeep Banerjee, Nivedita Sarkar
Summary: Amine substitution of two ortho fluorine atoms of tetrafluoroterephthalonitrile through SNAr chemistry is easily achievable. But further fluorine substitution is only possible under forcing conditions, yielding valuable fluorophores for bioimaging.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Review
Chemistry, Organic
Anju Chadha, Santosh Kumar Padhi, Selvaraj Stella, Sowmyalakshmi Venkataraman, Thangavelu Saravanan
Summary: Alcohol dehydrogenases are enzymes that use cofactors for oxidation or reduction reactions of alcohols or carbonyl compounds. They are utilized in green chemistry and have applications in the production of pharmaceuticals. Recombinant enzymes have solved the challenge of producing purified enzymes in large quantities. Engineered alcohol dehydrogenases have been used in asymmetric synthesis in industry. Various methods have been established for regenerating expensive cofactors to make the enzymatic process more efficient and economically viable.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)