540 research outputs found
CCDC 993778: Experimental Crystal Structure Determination
No full textRelated Article: Shaukat Shujah, Saqib Ali, Nasir Khalid, Niaz Muhammad, Auke Meetsma, Abdul Wadood, Huma Khan|2022|Polyhedron|215|115678|doi:10.1016/j.poly.2022.11567
CCDC 993776: Experimental Crystal Structure Determination
No full textRelated Article: Shaukat Shujah, Saqib Ali, Nasir Khalid, Niaz Muhammad, Auke Meetsma, Abdul Wadood, Huma Khan|2022|Polyhedron|215|115678|doi:10.1016/j.poly.2022.11567
CCDC 993777: Experimental Crystal Structure Determination
No full textRelated Article: Shaukat Shujah, Saqib Ali, Nasir Khalid, Niaz Muhammad, Auke Meetsma, Abdul Wadood, Huma Khan|2022|Polyhedron|215|115678|doi:10.1016/j.poly.2022.11567
قاضی عبد الودود کی تحقیقی و تدوینی خدمات: Qazi Abdul Wadood's Research and Editing Services
No full textThe name of Qazi Abdul Wadood does not need any introduction in history of Urdu Research and Editing. As a result of his research and editing Services, his Contemporaries remember him as a Teacher of reserachers, Warner to heedless and a personality who has qualities of lexicographer. This article highlights his services in the fields of research and editing
CCDC 1473791: Experimental Crystal Structure Determination
No full textRelated Article: Niaz Muhammad, Naseer Ali Shah, Saqib Ali, Abdul Wadood, Mehreen Ghufran, Muhammad Rashid Khan, Pakiza Siddiq, Shaukat Shujah, Auke Meetsma|2018|J.Coord.Chem.|71|3315|doi:10.1080/00958972.2018.1513131,An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Ethyl 4-(1H-tetrazol-1-yl)benzoate derivatives as multi-target inhibitors of cancer migration via BTK, BRAF, and FAK modulation: in silico and in vitro studies
No full textMetastasis is the leading cause of cancer-related mortality, driven by complex processes such as cell migration and focal adhesion dynamics, which are regulated by key kinases including BTK, BRAF, and FAK. In this study, we designed, synthesized, and comprehensively evaluated a novel series of ethyl 4-(1H-tetrazol-1-yl)benzoate derivatives (Z1-Z7) as potential multi-target inhibitors of cancer metastasis. In silico analyses, including molecular docking and molecular dynamics simulations (MDs), identified compounds Z3 and Z4 as the most promising candidates, demonstrating strong and stable interactions with BTK, BRAF, and FAK. Density Functional Theory (DFT) calculations further supported these findings, revealing that Z3 and Z4 exhibited the lowest HOMO-LUMO energy gaps, indicating a high potential for charge transfer. Based on these results, Z3 was selected for in vitro validation, where it exhibited notable anticancer activity against A549 (IC50 = 2.522 μg/mL) and SKGT4 (IC50 = 1.576 μg/mL) cancer cell lines, while also displaying cytotoxicity toward normal Vero cells (IC50 = 2.758 μg/mL). Additionally, Z3 significantly inhibited cancer cell migration in wound healing assays, with effective concentrations of 0.5 μg/mL, 2.5 μg/mL, and 5 μg/mL for A549 cells, and 0.5 μg/mL, 1.6 μg/mL, and 3.2 μg/mL for SKGT4 cells. These findings suggest that ethyl 4-(1H-tetrazol-1-yl)benzoate derivatives, particularly Z3 and Z4, hold promise as multi-target therapeutic agents capable of modulating critical pathways involved in cancer migration and metastasis. With further optimization and validation, these compounds may contribute to the development of next-generation targeted therapies that address both tumor growth and the serious challenge of metastasis
First evidence of the analgesic activity of govaniadine, an alkaloid isolated from Corydalis govaniana Wall
No full textIn this work, govaniadine, an alkaloid isolated from Corydalis govaniana Wall. was evaluated for its analgesic activity by writhing and hot-plate tests. Govaniadine did not display any toxic effects in mice up to 20mg/kg during 24h assessment study. The acetic acid-induced writhing was significantly reduced by pretreatment with govaniadine in a dose-dependent manner (1.25-5.0mg/kg, intraperitoneally (i.p.)). Furthermore, molecular docking study has shown that this alkaloid binds the COX-2 enzyme. In the hot-plate test, govaniadine at dose of 2.5 and 5mg/kg, i.p. displayed analgesic effect at all time points (30, 60, 90 and 120min). The analgesic effect of govaniadine was significantly antagonised by naloxone administration. Our results demonstrate for the first time that the peripheral and central analgesic effects of govaniadine could be in part related to the involvement of COX-2 activity and by its interaction with the opioid system
Homology Modeling of Alpha-Glucosidase from Candida albicans: Sequence Analysis and Structural Validation Studies in silico
No full textThe alpha-glucosidase enzyme of Candida albicans plays a vital role in the pathogenesis of candidiasis, a serious fatal disease in immune-compromised patients. The unavailability of the three-dimensional crystallographic structure of this enzyme creates a hindrance in developing novel and potent inhibitors. Here, an attempt has been made to design a stable three-dimensional conformer of alpha-glucosidase through in silico analysis which may be helpful for the designing of effective drugs. For this purpose, the oligo-1-6-glucosidase enzyme is used as a template for homology modeling of the alpha-glucosidase structure by Molecular Operating Environment 2011-12 software. The generated model was validated through ERRAT and Ramachandran tools, whereas its stability was studied through the molecular dynamics simulation technique. The obtained results indicate that model of alpha-glucosidase has stable secondary and tertiary arrangements. This finding may spur new directions for the rational designing and development of new antifungal inhibitors. Nevertheless, additional experimental investigations and validation are needed to confirm the in silico results of this study.Instituto de Química Universidade Estadual Paulista Julio de Mesquita FilhoCentro de Ciências Químicas Farmacêuticas e de Alimentos Universidade Federal de PelotasDepartment of Chemistry Islamia College University, Khyber PakhtunkhwaDepartment of Biochemistry Shankar Campus Abdul Wali Khan University, Khyber PakhtunkhwaInstituto de Química Universidade Estadual Paulista Julio de Mesquita Filh
قاضی عبدالودود بطورمرتِّب و مدوِّن
No full textTadveen of Urdu texts during the 20th century has been carried out simultaneously, and often con-currently, at various centers of learning in different cities and provinces /states in India and Pakistan. These include Deccan, Lahore, Karachi, Delhi, Lucnow, Raam Pur and Patna etc, where it was carried out and these centres/Cities determine its characteristics and tendencies. Any study of the tradition of Tadveen e Matn in Urdu has to take into account these centres as a whole describing their history as well as characteristics and evolution. These centres can be described as "Dabsitaan" in the tradition of Tadveen e Matn. Among these centres the Patna Dabistan has its own characteristics. Qazi Abdul Wadood is the main Mudavin of this center. In this article Dr. MUhammad Khan Ashraf and Dr. Azmt Rubab narrate and analyse the charactersitics and methods of Qazi Abdul Wadood's editing and Works
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