Article
Biochemistry & Molecular Biology
Amr S. Abouzied, Jehan Y. Al-Humaidi, Abdulrahman S. Bazaid, Husam Qanash, Naif K. Binsaleh, Abdulwahab Alamri, Sheikh Muhammad Ibrahim, Sobhi M. Gomha
Summary: This study synthesized a series of 1,3,4-thiadiazole derivatives with anticancer activity and compared them with a reference drug. Among them, 1,3,4-thiadiazole 4h showed the best anticancer activity and performed well against both cancer cell lines.
Article
Chemistry, Medicinal
Sobhi M. Gomha, Hyam A. Abdelhady, Doaa Z. H. Hassain, Aboubakr H. Abdelmonsef, Mohamed El-Naggar, Mahmoud M. Elaasser, Huda K. Mahmoud
Summary: Hybrid drug design is an important method for developing novel anticancer therapies, with thiazole-thiophene hybrids showing promising anticancer activity. The Rab7b protein has been identified as a potential target for novel anticancer agents. In this study, compounds 9 and 11b showed significant antitumor activity against MCF-7 tumor cells, suggesting their potential as lead compounds for new anticancer drugs.
DRUG DESIGN DEVELOPMENT AND THERAPY
(2021)
Article
Chemistry, Multidisciplinary
Sara N. Shabaan, Basma Saad Baaiu, Anhar Abdel-Aziem, Mohamed S. Abdel-Aziz
Summary: In this study, ultrasonic irradiation was used as an eco-friendly and efficient method for synthesizing new 1,3-thiazoles and 1,3,4-thiadiazines under solvent-free conditions. The synthesized compounds were screened for antimicrobial activity, with most showing potent to moderate activities against tested microbes. Compounds with potent antimicrobial activities were further analyzed for their MIC and MBC values, with some showing promising results against Staphylococcus aureus.
GREEN CHEMISTRY LETTERS AND REVIEWS
(2021)
Article
Biochemistry & Molecular Biology
Tariq Z. Abolibda, Maher Fathalla, Basant Farag, Magdi E. A. Zaki, Sobhi M. Gomha
Summary: One crucial strategy for the treatment of breast cancer involves targeting the VEGFR-2 signaling system. In this study, new 3-thiazolhydrazinylcoumarins were synthesized and assessed for their inhibitory activity against VEGFR-2. The most active compounds exhibited comparable activities to the approved medicine Sorafenib and demonstrated greater anticancer activities than Sorafenib in breast cancer cell lines.
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
Biochemistry & Molecular Biology
Sobhi M. Gomha, Sayed M. Riyadh, Bader Huwaimel, Mohie E. M. Zayed, Magda H. Abdellattif
Summary: Investigating new compounds for designing breast anticancer agents is a major challenge for medicinal chemists. In this study, a series of thiazole-bearing thiophene derivatives were synthesized using acetylthiophene as a building block. Evaluation of the synthesized compounds revealed promising activities for compounds 4b and 13a, supported by computational studies.
Article
Chemistry, Physical
Jehan Y. Al-Humaidi, Sobhi M. Gomha, Nahed A. Abd El-Ghany, Basant Farag, Magdi E. A. Zaki, Tariq Z. Abolibda, Nadia A. Mohamed
Summary: In this study, an ecofriendly biopolymeric catalyst was prepared and used for the synthesis of novel thiazole and thiadiazole derivatives. The catalyst showed mild reaction conditions, quick reaction durations, and high reaction yields. It also retained its potency after multiple reuses.
Article
Chemistry, Physical
Vishnunarayanan Namboothiri Vadakkedathu Palakkeezhillam, Jebiti Haribabu, Vipin Manakkadan, Puthiyavalappil Rasin, Roslin Elsa Varughese, Dasararaju Gayathri, Nattamai Bhuvanesh, Cesar Echeverria, Anandaram Sreekanth
Summary: In this study, we synthesized and evaluated the biological activity of new thiosemicarbazones and their cyclized heterocyclic compounds through in silico and in vitro examinations. Two pyrene-based thiosemicarbazone compounds were prepared and two new compounds were obtained through cyclization reactions. The structure of the compounds was characterized using various analytical techniques. Among them, PP2 exhibited strong cytotoxicity and inhibited the growth of HepG-2 and T24 cells.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
B. Choodamani, Sujeet Kumar, Alok Kumar Gupta, Dominique Schols, Hakan Tahtaci, Tuncay Karakurt, Satvik Kotha, B. Swapna, Ramachandra Setty, Subhas S. Karki
Summary: A series of derivatives of 2-(naphthalen-1-yl)-methyl-6-arylimidazo[2,1-b][1,3,4]thiadiazole were synthesized and studied for cytotoxicity against various cell lines. The pharmacokinetic properties of the compounds were evaluated using a prediction tool, and molecular docking studies were conducted to assess their potential as inhibitors for the EGFR protein structure. Selected compounds showed promising stability in molecular dynamics simulations.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
K. Veena, M. S. Raghu, K. Yogesh Kumar, C. B. Pradeep Kumar, Fahad A. Alharti, M. K. Prashanth, Byong-Hun Jeon
Summary: This study successfully developed a new class of benzimidazole-linked thiazole compounds as chemotherapeutic drugs with anti-tuberculosis activity. Some of these compounds showed high antimicrobial effects against drug-resistant Mycobacterium tuberculosis strains. The study also revealed some structure-activity relationships and demonstrated the interaction of the compounds with the key protein MmpL3 through molecular docking studies. In addition, the potential drug properties of these compounds were validated through in-silico predictions.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Multidisciplinary
Sobhi M. Gomha, Magdi E. A. Zaki, Deepika Maliwal, Raghuvir R. S. Pissurlenkar, Mohamed S. Ibrahim, Maher Fathalla, Ahmed M. Hussein
Summary: This study synthesized novel 3-thiazolyl-indole derivatives and evaluated their ability to inhibit CDK2 using molecular docking analyses. The compounds exhibited significant inhibitory activity against CDK2 and showed potential as anticancer drugs.
RESULTS IN CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Piotr Swiatek, Teresa Glomb, Agnieszka Dobosz, Tomasz Gebarowski, Kamil Wojtkowiak, Aneta Jezierska, Jaroslaw J. Panek, Malgorzata Swiatek, Malgorzata Strzelecka
Summary: Chronic inflammation plays a significant role in major human diseases, with prostaglandin E-2 and COX activator being implicated in tumor growth. Existing anti-inflammatory drugs have limitations, thus the development of new compounds with potential anticancer activity and safety is necessary.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Cell Biology
Lidia Weglinska, Adrian Bekier, Katarzyna Dzitko, Barbara Pacholczyk-Sienicka, Lukasz Albrecht, Tomasz Plech, Piotr Paneth, Agata Paneth
Summary: This study showed that a series of 1,3,4-thiadiazole-2-halophenylamines compounds could effectively inhibit the invasion and proliferation of Toxoplasma gondii in host cells, with para-iodo derivative 12b being the most effective.
Article
Chemistry, Physical
Ulviye Acar Cevik, Aysen Isik, Ravikumar Kapavarapu, Kaan Kucukoglu, Hayrunnisa Nadaroglu, Hayrani Eren Bostanci, Yusuf Ozkay, Zafer Asim Kaplancikli
Summary: In this study, a series of benzimidazole-triazole derivatives were synthesized and evaluated for their inhibitory activity against hCA-I and hCA-II. These compounds displayed good inhibitory activities against both enzymes, with compound 6j being the most active. The cytotoxic effects of compounds 6a-6k on normal cells were also assessed, and non-competitive enzyme inhibition kinetics were observed. Molecular docking studies confirmed the binding interactions between compound 6j and the enzyme's active site, supporting the experimental findings.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Biochemistry & Molecular Biology
Alicja Skrzypek, Joanna Matysiak, Monika Karpinska, Kamila Czarnecka, Pawel Krecisz, Dorota Stary, Jedrzej Kukulowicz, Beata Paw, Marek Bajda, Pawel Szymanski, Andrzej Niewiadomy
Summary: Two series of novel 1,3,4-thiadiazole-resorcinol conjugates were efficiently synthesized and evaluated as cholinesterases inhibitors, showing potential as mixed type inhibitors with good affinity for both AChE and BuChE. These compounds exhibited better inhibition of Aβ aggregation and antioxidant properties compared to curcumin, with metal ion chelating properties and acceptable cytotoxicity in vitro.
BIOORGANIC CHEMISTRY
(2021)
Article
Chemistry, Organic
Jehan Y. Al-Humaidi, A. A. Nayl, Mohamed M. Abdalla, Sobhi M. Gomha
Summary: This study synthesized and tested the in-vivo activity of different compounds, and found that triazolo-tetrazine derivatives have excellent anticonvulsant and CNS-depressant activities. Further structure-activity relationship studies demonstrated that electron-releasing groups increase activity while electron-withdrawing groups decrease activity.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Chemistry, Organic
Sobhi M. Gomha, Sayed M. Riyadh, Thoraya A. Farghaly, Reda A. Haggam
Summary: This recent review highlights the synthetic utility of bis-(4-amino-5-mercapto[1,2,4] triazoles) as versatile building blocks for the synthesis of diverse bis-fused [1,2,4]triazoles and pharmacological polymeric materials. The synthesis of macrocycles containing [1,2,4]triazole subunits is also demonstrated. The review encompasses the period from 2000 to February 2022.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Materials Science, Multidisciplinary
Khalil ur Rehman, Umber Zaman, Shahid Ullah Khan, Kamran Tahir, Bibi Hajira, Jehan Y. Al-Humaidi, Moamen S. Refat, Noor Saeed Khattak, Dilfaraz Khan
MATERIALS CHEMISTRY AND PHYSICS
(2023)
Article
Chemistry, Organic
Tariq Z. Abolibda, Maher Fathalla, Ghadah F. Aljohani, Ehab M. Zayed, Sobhi M. Gomha
Summary: In this study, a series of pyrimidine derivatives with broad-spectrum biological activity were synthesized, and their antiviral activity against SARS-CoV-2 main protease (Mpro) was investigated using molecular docking and molecular dynamics simulation. Among them, pyrazolinone 19 exhibited the strongest inhibitory activity with good affinity towards Mpro, making it a potential candidate for antiviral drug development.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Biochemistry & Molecular Biology
Tariq Z. Abolibda, Maher Fathalla, Basant Farag, Magdi E. A. Zaki, Sobhi M. Gomha
Summary: One crucial strategy for the treatment of breast cancer involves targeting the VEGFR-2 signaling system. In this study, new 3-thiazolhydrazinylcoumarins were synthesized and assessed for their inhibitory activity against VEGFR-2. The most active compounds exhibited comparable activities to the approved medicine Sorafenib and demonstrated greater anticancer activities than Sorafenib in breast cancer cell lines.
Article
Biochemistry & Molecular Biology
Fayza O. Ashmawy, Sobhi M. Gomha, Magda A. Abdallah, Magdi E. A. Zaki, Sami A. Al-Hussain, Mohamed A. El-desouky
Summary: A new series of thiazolyl pyridines linked with thiophene moiety via hydrazone group were successfully synthesized by one-pot multi-component reaction. These compounds demonstrated excellent anticancer activities against lung cancer cells by inhibiting epidermal growth factor receptor (EGFR) tyrosine kinase, except for compounds 8c and 8f.
Article
Biochemistry & Molecular Biology
Mohamed S. Ibrahim, Basant Farag, Jehan Y. Al-Humaidi, Magdi E. A. Zaki, Maher Fathalla, Sobhi M. Gomha
Summary: The green synthesis of new benzaldazine and ketazine derivatives using the grinding method with acetic acid as a catalyst is reported in this study. The synthesized derivatives exhibited potential anti-tumor activities against different cancer cell lines. Molecular docking studies and drug-likeness analysis indicated that one of the derivatives had better pharmacokinetics and oral bioavailability compared to the reference medication.
Article
Chemistry, Organic
Mohamed G. Badrey, Sobhi M. Gomha, Aboubakr H. Abdelmonsef, Ahmed A. M. El-Reedy
Summary: A series of new three-armed heterocycles, such as thiazoles and thiazines linked to triazine moiety, were synthesized using cyanuaric chloride and thiothemicarbazide as starting materials to obtain the target compound 1. Thiazole derivatives were obtained through the reaction of tris-thiosemicarbazide with various hydrazonoyl halides. Additionally, a thiazole derivative could be prepared from the reaction of target compound 1 with DMAD. Thiazine derivatives were synthesized from compound 1 through interaction with benzylidinemalonitrile. In this study, molecular docking analysis and in silico ADMET predictions were conducted to investigate the molecular interactions and pharmacokinetic properties of the compounds. The new compounds show potential as chemical scaffolds for the development of anti-obesity drug candidates.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Chemistry, Multidisciplinary
Abdullah, Naimat Ullah Khan, Umar Ayaz Khan, Abid Zaman, Ali Algahtani, Jehan Y. Al-Humaidi, Vineet Tirth, Amnah Mohammed Alsuhaibani, Tawfiq Al-Mughanam, Moamen S. Refat, Asad Ali
Summary: In this study, the structural, electronic, elastic, and optical properties of Rb-based double halide perovskites, Rb2XCrCl6 (X = K, Na), were investigated using the Wien2k package and density functional theory. The materials were found to be semiconductors, with mechanical stability demonstrated by elastic studies. Rb2NaCrCl6 was shown to be more stable than Rb2KCrCl6, and both materials possessed certain resistance to stimuli that changed their shape. The optical study suggested that these compounds could have potential applications in optoelectronic devices. This study provides a platform for further experimental investigations in this field.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2023)
Article
Chemistry, Multidisciplinary
Jehan Y. Al-Humaidi, Abd Ullah, Naimat Ullah Khan, Javed Iqbal, Sajid Khan, Ali Algahtani, Vineet Tirth, Tawfiq Al-Mughanam, Moamen S. Refat, Abid Zaman
Summary: This study investigates the theoretical properties of cubic double perovskite compounds Cs2XCrCl6 (X = K or Na) using density functional theory calculations. The compounds were found to have stable cubic perovskite structures, and their elastic stability and half-metallic nature were confirmed by calculating their elastic constants, formation energies, band structures, and density of states. Furthermore, the optical properties of the compounds were examined, indicating their potential suitability for optical applications.
Article
Chemistry, Multidisciplinary
Abid Zaman, Asad Ali, Muhammad Anas, Muhammad Kamran, Amir Sohail Khan, Vineet Tirth, Jehan Y. Al-Humaidi, Amir Arabi, Moamen S. Refat, Rafi Ullah
Summary: (Bi1-xLax)FeO3 (0.00 < x < 0.06) ceramics were synthesized through a mixed oxide route and their structural, morphological, optical, dielectric, and magnetic properties were investigated. The samples exhibited rhombohedral structures with R3c space group and 161 space group number. BLFO samples showed high relative permittivity and the lowest tangent loss in the frequency range of 1-100 MHz. Optical studies revealed an increase in excitation energy with increasing La content. The magnetization was strongly influenced by crystallite size and microstrain. The band gap energy also increased with increasing La content. The overall result showed enhanced structural, dielectric, and optical properties in BFO ceramics with pure and doped La contents.
Article
Chemistry, Multidisciplinary
Naimat Ullah Khan, Abdullah, Umar Ayaz Khan, Vineet Tirth, Jehan Y. Al-Humaidi, Moamen S. Refat, Ali Algahtani, Abid Zaman
Summary: The structural, electronic, elastic, thermoelectric, and optical properties of RbTiCl3 and CsTiCl3 perovskites were studied using density functional theory. It was found that these materials exhibit high optical absorption and possess half metallic nature, making them promising in addressing issues such as global warming.
Article
Chemistry, Multidisciplinary
Sobhi M. Gomha, Magdi E. A. Zaki, Deepika Maliwal, Raghuvir R. S. Pissurlenkar, Mohamed S. Ibrahim, Maher Fathalla, Ahmed M. Hussein
Summary: This study synthesized novel 3-thiazolyl-indole derivatives and evaluated their ability to inhibit CDK2 using molecular docking analyses. The compounds exhibited significant inhibitory activity against CDK2 and showed potential as anticancer drugs.
RESULTS IN CHEMISTRY
(2023)