Article
Biochemistry & Molecular Biology
Catarina Canario, Mariana Matias, Vanessa Brito, Adriana O. Santos, Amilcar Falcao, Samuel Silvestre, Gilberto Alves
Summary: Interest in introducing the oxime group into molecules to enhance their biological effects is growing. New steroidal oximes of the estrane series were developed and evaluated for potential antitumor activity. The Δ(9,11)-estrone oxime exhibited the highest cytotoxicity and interactions with estrogen receptors and beta-tubulin were strong, explaining the observed effects.
Article
Chemistry, Multidisciplinary
Anushree Mondal, Rung-Yi Lai, Dmytro Fedoseyenko, Nitai Giri, Tadhg P. Begley
Summary: The yeast THI5p enzyme catalyzes a complex organic rearrangement in primary metabolism. This reaction converts the active site His66 and PLP to thiamin pyrimidine in the presence of Fe(II) and oxygen. The enzyme is a single-turnover enzyme. This study identifies an oxidatively dearomatized PLP intermediate and characterizes three shunt products derived from it.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Gajula Shyam Kumar, Gaddam Ramesh, Gattu Sridhar, Gangarapu Kiran, Prasanna Sheela Menga, Sambaru Kalyani, Nimma Rameshwar, Boyapati Shireesha, Vasam Chandrasekhar, Mavurapu Satyanarayana
Summary: A series of oxazolyl-pyrimidine derivatives were synthesized and evaluated for their cytotoxicity against various cancer cell lines. Heteroaryl compounds with terminal pyridyl and thiazolyl groups exhibited strong cytotoxicity against cervix and lung cancer cell lines, while methoxy substituted derivatives showed excellent to good cytotoxic properties.
Article
Chemistry, Multidisciplinary
Alaa M. Alqahtani, Abrar A. Bayazeed
Summary: Ten new pyridine-linked thiazole hybrids were synthesized using a specific strategy, and their cytotoxicity against various cancer cell lines was studied. Two of the compounds showed promising anticancer activity.
ARABIAN JOURNAL OF CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Salah A. Abdel-Aziz, Ehab S. Taher, Ping Lan, Gihan F. Asaad, Hesham A. M. Gomaa, Nawal A. El-Koussi, Bahaa G. M. Youssif
Summary: A new series of pyrimidine-5-carbonitrile derivatives carrying the 1,3-thiazole moiety have been designed and synthesized as novel anti-inflammatory EGFR inhibitors with cardiac and gastric safety profiles. These compounds showed potent and selective COX-2 inhibition, significant in-vivo anti-inflammatory effects, and superior gastric safety profiles compared to meloxicam. Additionally, they exhibited cardiovascular safety, anti-proliferative effects, and superior inhibitory activity against wild-type EGFR.
BIOORGANIC CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Asmaa A. Mandour, Ibrahim F. Nassar, Mohammed T. Abdel Aal, Mahmoud A. E. Shahin, Wael A. El-Sayed, Maghawry Hegazy, Amr Mohamed Yehia, Ahmed Ismail, Mohamed Hagras, Eslam B. Elkaeed, Hanan M. Refaat, Nasser S. M. Ismail
Summary: A series of novel pyrazolopyrimidine derivatives were designed and synthesized as CDK2 inhibitors, showing promising anticancer activity against breast and colon cancer cells. Compound 15 exhibited the most significant inhibitory activity, causing alterations in cell cycle progression and apoptosis. Furthermore, compound 15 demonstrated low cytotoxicity in normal cells, indicating its potential therapeutic value.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Ferenc Kovacs, Mohana K. Gopisetty, Dora Adamecz, Monika Kiricsi, Eva A. Enyedy, Eva Frank
Summary: A series of estradiol-derived benzoxazol-2-ones with combined aromatic rings were synthesized successfully for sterane-based molecular hybrids, showing specific cytotoxic activity against cancer cells in vitro with good synthetic yields.
Article
Chemistry, Physical
Pramod D. JawalePatil, Keerti Bhamidipati, Manoj G. Damale, Jaiprakash N. Sangshetti, Nagaprasad Puvvada, Rajesh S. Bhosale, Rajita D. Ingle, Rajendra P. Pawar, Sidhanath Bhosale, Sheshanath Bhosale
Summary: In this study, the synthesis and characterization of 1-16 new naphthalimide derivatives were reported. Compounds 2, 6 and 14 exhibited significant cytotoxic activity and showed potential as lead compounds in drug discovery.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Sraa Abu-Melha
Summary: The thiadiazole-pyrazole hybrid 3 was synthesized and used to produce four thiadiazole-pyrazole compounds 5 and 6a-c. The configuration and energetic properties of the hybrids were studied, revealing a small energy gap and a specific sorting order. The synthesized thiadiazole-pyrazole hybrids exhibited significant antitumor activities and binding appropriateness with caspase-3 enzyme.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Biochemistry & Molecular Biology
Sravani Sana, Velma Ganga Reddy, T. Srinivasa Reddy, Ramya Tokala, Rahul Kumar, Suresh K. Bhargava, Nagula Shankaraiah
Summary: The study introduces a novel class of compounds with moderate to interesting cytotoxicity against various cancer cell lines, with compound 18i showing the highest potency and specificity towards A549 (lung cancer) cells. Flow cytometry analysis revealed that 18i induced G2/M phase cell cycle arrest, indicating potential anticancer activity. The most active compound, 18i, demonstrated enhanced microtubule disruption and significant antitumor effects through multiple mechanisms, including apoptosis induction, ROS generation, and inhibition of cellular migration.
BIOORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Laila A. Al-Mutabagani, Fathy M. Abdelrazek, Sobhi M. Gomha, Ali S. Hebishy, Mohamed S. Abdelfattah, Safaa M. Hassan, Abdelwahed R. Sayed, Mahmoud M. Elaasser
Summary: A study synthesized new thiazole derivatives and analyzed them using various techniques. Most thiazole compounds showed good antimicrobial properties, with compound 10c exhibiting the strongest cytotoxic activity against three cancer cell lines and low toxicity against normal cells. Further in vivo and pharmacological studies may be needed for these compounds.
APPLIED SCIENCES-BASEL
(2021)
Article
Chemistry, Physical
M. Smitha, Y. Sheena Mary, Y. Shyma Mary, Goncagul Serdaroglu, Papia Chowdhury, Meenakshi Rana, H. Umamahesvari, B. K. Sarojini, B. J. Mohan, Rani Pavithran
Summary: In this study, spectroscopic, electronic, and chemical properties of EMTP were extensively studied using DFT calculations, along with molecular docking simulations. The results suggest that EMTP may be a promising drug for selected inhibitors.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Medicinal
Salah A. Abdel-Aziz, Ehab S. Taher, Ping Lan, Nawal A. El-Koussi, Ola I. A. Salem, Hesham A. M. Gomaa, Bahaa G. M. Youssif
Summary: A new series of pyrimidine/thiazole hybrids 7a-p were synthesized as selective COX-2/sEH inhibitors with analgesic and anti-inflammatory effects, and lower cardiotoxicity effects. Some hybrids showed the greatest COX-2-inhibitory activity and were discovered to be the most potent dual COX-2/sEH inhibitors, with improved ulcerogenic and cardioprotective properties.
ARCHIV DER PHARMAZIE
(2022)
Article
Chemistry, Organic
Chekrapani Kesari, Koteshwar Rao Rama, Khwajanezrabodin Sedighi, Jan Stenvang, Fredrik Bjorkling, Shravankumar Kankala, Niranjan Thota
Summary: A series of novel thiazole linked chalcones and ring-closed pyrimidine analogs were synthesized and evaluated for anti-cancer activity, with thiazole derivatives showing promising results and potential for further optimization. The enone linker was critical for obtaining more active compounds in this series.
SYNTHETIC COMMUNICATIONS
(2021)
Article
Biochemistry & Molecular Biology
Doaa S. Nada, Dina S. Elkady, Ghada H. Elsayed, Adel A. -H. Abdel-Rahman, Gamal A. Elmegeed
Summary: A novel class of hybrid estrane heterocyclic compounds were synthesized and evaluated, showing more inhibitory influence on three human cancer cell lines than the reference drug doxorubicin. The results were confirmed by morphology study.
Article
Oncology
Rafat Milad Mohareb, Noha M. Asaad Bagato, Ibrahim Taha Radwan
Summary: This study synthesized target molecules and evaluated their in-vitro antitumor activity. Compound 20d showed high antitumor activity and inhibited both EGFR and PIM-1 enzymes.
ANTI-CANCER AGENTS IN MEDICINAL CHEMISTRY
(2022)
Article
Oncology
Rafat M. Mohareb, Nadia Y. Megally Abdo, Rehab A. Ibrahim, Eman M. Samir
Summary: In this study, target molecules were synthesized from cyclohexane-1,3-dione derivatives, and their structure-activity relationships were discussed. The synthesized compounds exhibited high anti-proliferative activity against cancer cell lines. The presence of electronegative groups was found to be responsible for the high activity of the compounds.
ANTI-CANCER AGENTS IN MEDICINAL CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Rafat M. Mohareb, Abeer A. Mohamed, Rehab A. Ibrahim
Summary: The aim of this study was to synthesize a series of compounds and test their anticancer activities and protein kinase inhibition. The results showed that these compounds exhibited high anticancer potential, which is promising for future research.
BULLETIN OF THE CHEMICAL SOCIETY OF ETHIOPIA
(2022)
Article
Chemistry, Multidisciplinary
Rafat Milad Mohareb, Rehab Ali Ibrahim, Ensaf Sultan Alwan
Summary: The study aimed to synthesize molecules with both anti-tumor activities and kinase inhibition. By utilizing multi-component reactions, active compounds were synthesized and it was found that the presence of Cl group in the molecules favored inhibition.
BULLETIN OF THE CHEMICAL SOCIETY OF ETHIOPIA
(2022)
Article
Chemistry, Multidisciplinary
Rafat Milad Mohareb, Abeer Abdelazeem Mohamed, Rehab A. Ibrahim
Summary: In this study, 2-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)acetonitrile (4) was synthesized and its reactivity towards chemical reagents was investigated to produce various derivatives. The synthesized compounds were evaluated for their anticancer activity against three cancer cell lines and their inhibitory effect on c-Met kinase. The results showed that most of the compounds exhibited potent inhibition against cancer cells and c-Met kinase. These findings suggest the potential of benzo[d]oxazine derivatives as anticancer agents and provide a basis for further research in this area.
Article
Chemistry, Multidisciplinary
Rafat M. Mohareb, Bishoy A. Ibrahim
Summary: In this study, a series of derivatives were synthesized and evaluated for their cytotoxicity against two cancer cell lines. The results showed that some of these compounds exhibited strong anticancer activity. These findings provide encouragement for further research and development of new cytotoxic compounds.
BULLETIN OF THE CHEMICAL SOCIETY OF ETHIOPIA
(2023)
Article
Chemistry, Multidisciplinary
Rafat M. Mohareb, Bishoy A. Ibrahim, Fatma Omar Al Farouk
Summary: Benzoylacetone (1) undergoes multi-component reactions to produce pyran derivatives 4a-f with aromatic aldehydes and malononitrile or ethyl cyanoacetate. Condensation products 5a-m are formed by the reaction of the latter compounds with malononitrile or ethyl cyanoacetate. Arylhydrazone derivatives 7a-i are obtained from the reaction of compounds 4a-f with diazonium salts 6a-c. Pyran derivatives 9a-c are produced by the reaction of compound 1 with aromatic aldehydes and cyclohexan-1,3-dione. Thiophene derivatives 10a,b are obtained from the Gewald's reactions of compound 1 with elemental sulfur and malononitrile or ethyl cyanacetate. The synthesized products are evaluated against selected cancer cell lines and the most active compounds are further evaluated against seventeen cancer cell lines classified according to the disease. The morphological changes of A549 cell line by compound 7k are studied in the microenvironment of lung tissue, showing excellent results.
BULLETIN OF THE CHEMICAL SOCIETY OF ETHIOPIA
(2023)
Review
Pharmacology & Pharmacy
Galal H. H. Elgemeie, Rasha A. A. Azzam, Wafaa A. A. Zaghary, Mohammed A. A. Khedr, Gihad E. E. Elsherif
Summary: This review provides an overview of the pharmacological activities of pyrazolopyrimidine scaffold and its correlation with chemical structure. It also presents some exciting new developments in this field.
CURRENT PHARMACEUTICAL DESIGN
(2022)
Article
Infectious Diseases
Rasha A. A. Azzam, Heba A. A. Elboshi, Galal H. H. Elgemeie
Summary: Newly synthesized benzothiazole derivatives showed promising antimicrobial activity, especially against the S. aureus strain. Some compounds exhibited good physicochemical-pharmacokinetic properties and had good bioavailability and drug-likeness scores. Three compounds showed comparable IC50 values to the standard drug in inhibiting the DHPS enzyme, with compound 16b being the most active.
Article
Chemistry, Organic
Ebtsam A. A. Ahmed, Galal H. H. Elgemeie, Rasha A. A. Azzam
Summary: A range of new pyrimidine derivatives, including sulfapyrimidines and pyrazolo[1,5-a]pyrimidines, were successfully synthesized. The pyrimidine compounds were obtained by reacting sulfa guanidine with either 2-cyano-3-(dimethylamino)-N-acrylamides or N-(4-chlorophenyl)-2-cyano-3-(4-aryl)-acrylamides in basic medium. Similarly, the synthesis of pyrazolo[1,5-a]pyrimidine compounds was achieved by reacting 5-amino-1H-pyrazole-4-carboxamides with either 2-cyano-3-(dimethylamino)-N-acrylamides or N-(4-chlorophenyl)-2-cyano-3-(4-aryl)acrylamides.
SYNTHETIC COMMUNICATIONS
(2023)
Article
Crystallography
Reham A. Mohamed-Ezzat, Benson M. Kariuki, Rasha A. Azzam
Summary: A N-(5-Acetyl-4-methylpyrimidin-2-yl)benzenesulfonamide was synthesized and characterized by single-crystal X-ray diffraction. In the crystal, π-π interactions between the phenyl and pyrimidine groups of neighboring molecules form molecular chains parallel to [010]. Adjacent molecular chains are connected by N-H...N hydrogen-bonding interactions between the pyrimidine and amine groups of neighboring molecules, resulting in a three-dimensional network.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
(2023)
Article
Crystallography
Rasha A. Azzam, Galal H. Elgemeie, Heba A. Elboshi, Peter G. Jones
Summary: In the structure of the title compound, the triazole ring forms interplanar angles of 63.86 (2) and 76.96 (2) degrees with the phenyl and benzothiazole planes, respectively. The C-C-C angle at the methylene group is wide at 114.28 (4) degrees. The packing involves three borderline C-H center dot center dot center dot N contacts, with two forming layers parallel to ac, and the triazole rings paired across an inversion centre.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Nadia Y. Megally Abdo, Rafat Milad Mohareb
Summary: In this study, compound 2-Amino-6-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile (3) was synthesized and used as a starting material for the synthesis of fused pyran and pyridine derivatives. The synthesized compounds showed strong inhibition against cancer cell lines and kinases, indicating their potential as anti-cancer agents. Further research in this area is encouraged.
ACTA CHIMICA SLOVENICA
(2022)
Article
Crystallography
Rasha A. Azzam, Galal H. Elgemeie, Rasha E. Elsayed, Nagwa M. Gad, Peter G. Jones
Summary: The double-bond system in the acrylonitrile moiety of the title compound is significantly non-planar, and the interplay between planarity and avoidance of short S···S contact is evident in the wide angle C-C(CN)=C.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Rafat Milad Mohareb, Rehab Ali Ibrahim, Amira Mohamed Elmetwally, Marwa Soliman Gamaan
Summary: The synthesized compounds in the experiment produced a variety of effective anticancer derivatives through a series of reactions, showing high inhibitory activity against multiple cancer cell lines.
ACTA CHIMICA SLOVENICA
(2022)
Article
Biochemistry & Molecular Biology
Olexander M. Semenenko, Victoria V. Lipson, Alina O. Sadchenko, Olga V. Vashchenko, Natalia A. Kasian, Liliia Sviechnikova, Longin M. Lisetski, Mykola L. Babak, Volodymyr M. Vakula, Oleksandr Borysov, Yuliia Holota, Sergey O. Zozulya, Petro O. Borysko, Olexander Mazepa
Summary: An efficient protocol for the synthesis of novel methotrexate-betulonic acid hybrids has been developed and their structures and properties have been fully established. The hybrids showed inferior interactions with artificial lipid membranes, possibly due to their increasing lipophilicity.
Article
Biochemistry & Molecular Biology
Mohadese Yaghoobi Anzabi, Piotr Cmoch, Roman Luboradzki, Zbigniew Pakulski
Summary: Friedelin and 3-acetoxyfriedel-3-en-2-one, known as friedelane triterpenoids, have been isolated from cork smoker wash solids and used as starting materials for the synthesis of new friedelane derivatives. Reduction reactions result in the formation of friedelinol and epi-cerin derivatives.
Article
Biochemistry & Molecular Biology
Detlef Thieme, Aniko Krumbholz, Martin Bidlingmaier, Christoph Geffert, Annika Hameder, Andreas Stoever, Matthias Graw, Annekathrin M. Keiler
Summary: Ethanol can affect testosterone metabolism and potentially influence steroid biosynthesis and blood steroid profiles. The study emphasizes the importance of sufficient time interval from food and ethanol intake during blood sampling, particularly for diagnostics in doping control.
Article
Biochemistry & Molecular Biology
Masanobu Murao, Tetsuo Imano, Yoshinobu Sato, Masaaki Nakajima
Article
Biochemistry & Molecular Biology
Jingyuan Wang, Ye Feng, Brian Liu, Wen Xie
Summary: Sulfation and desulfation of steroids are opposing processes that regulate steroid homeostasis and are involved in steroid-related diseases. Cytosolic sulfotransferase and steroid sulfatase modify and regulate steroids to affect hormonal dysregulation, metabolic diseases, and cancer.
Article
Biochemistry & Molecular Biology
Noah K. Babel, Brian J. Feldman
Summary: Our research identified a previously unrecognized ADAMTS1-PTN-Wnt pathway in regulating adipose precursor cell behavior. The non-muscle myosin protein MYH9 was found to be a key target of this pathway for modulating adipogenesis. These findings offer potential for developing novel therapeutics for obesity and related metabolic disorders.
Article
Biochemistry & Molecular Biology
Martiniano Bello
Summary: This study explores the structural and thermodynamic basis of molecular recognition between ERβ and DPN and its derivatives using molecular dynamics simulations and end-point methods. The results show that the MMGBSA approach is able to reproduce experimental trends and identify eight residues that strongly interact with the ligands.