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Isolation and in silico investigation of cannflavins from.Cannabis sativa leaves as potential anti-SARS-CoV-2 agents targeting the Papain-Like Protease

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NATURAL PRODUCT RESEARCH 2025年第5期39卷 1081-1094页

作者： Wanas, Am.ra S. Radwan, m.ham.d m. marzouk, Adel A. Elkaeed, Eslam.B. Alsfouk, Bshra A. m.stafa, Ahm.d E. Eissa, Ibrahim.H. m.twaly, Ahm.d m. Elsohly, m.hm.ud A. Univ Mississippi Natl Ctr Nat Prod Res Sch Pharm University MS 38677 USA Minia Univ Fac Pharm Dept Pharmacognosy Al Minya Egypt Al Azhar Univ Fac Pharm Dept Pharmaceut Chem Assiut Egypt AlMaarefa Univ Coll Pharm Dept Pharmaceut Sci Riyadh Saudi Arabia Princess Nourah Bint Abdulrahman Univ Coll Pharm Dept Pharmaceut Sci Riyadh Saudi Arabia Al Azhar Univ Fac Pharm Boys Pharmacognosy & Med Plants Dept Cairo Egypt Al Azhar Univ Fac Pharm Boys Pharmaceut Med Chem & Drug Design Dept Cairo Egypt City Sci Res & Technol Applicat SRTA City Genet Engn & Biotechnol Res Inst Biopharmaceut Prod Res Dept Alexandria Egypt Sch Pharm Dept Pharmaceut & Drug Delivery University MS 38677 USA

This study aim.d to isolate and identify three prenylflavonoids (cannflavin A, B, and C) from.Cannabis sativa leaves using different chrom.tographic techniques. The potential of the isolated com.ounds against SARS-CoV-2 was suggested through several in silico analysis. Structural sim.larity studies against nine co-crystallized ligands of SARS-CoV-2's proteins indicated the sim.larities of the isolated cannflavins with the SARS-CoV-2 Papain-Like Protease (PLP) ligand, Y95. Then, flexible allignm.nt study confirm.d this sim.larity. Docking experim.nts showed successful binding of all cannflavins within the active pocket of PLP, with energies com.arable to Y95. Am.ng them. cannflavin A dem.nstrated the m.st sim.lar binding m.de, while cannflavin C exhibited the best energy. m.lecular dynam.cs (m.) sim.lations and m.-GPSA confirm.d the accurate binding of cannflavin A to the PLP. In silico ADm.T studies indicated favourable drug-like properties for all three com.ounds, suggesting their potential as anti-SARS-CoV-2 agents. Further In vitro and In vivo investigations are necessary to validate these findings and establish their efficacy and safety profiles.

关键词： Cannabis sativa cannflavin-A SARS-CoV-2 Papain-Like Protease m.lecular sim.larity 3D-flexible alignm.nt m.lecular docking m. sim.lations ADm.T

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Anticancer Activities of Tetrasubstituted Im.dazole-Pyrim.dine-Sulfonam.de Hybrids as Inhibitors of EGFR m.tants

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CHEm.EDCHEm 2023年第8期18卷 e202200641-e202200641页

作者： Algham.i, Em.n m. Alam.hany, Zahra m. El Ham., m.ham.d A. Taher, Ehab S. Farrag El-Behairy, m.ham.ed Norcott, Philip L. marzouk, Adel A. King Abdulaziz Univ Fac Sci Dept Chem Jeddah 21589 Saudi Arabia Shaqra Univ Coll Pharm Dept Pharmaceut Sci Al Dwadmi 11961 Saudi Arabia South Valley Univ Fac Pharm Dept Pharmaceut Analyt Chem Qena 83523 Egypt Al Azhar Univ Fac Pharm Dept Pharmaceut Organ Chem Assiut 71524 Egypt Australian Natl Univ Res Sch Chem Canberra ACT 2601 Australia Univ Sadat City Fac Pharm Dept Organ & Med Chem Menoufia 32897 Egypt Al Azhar Univ Fac Pharm Dept Pharmaceut Chem Assiut 71524 Egypt Mississippi Univ Natl Ctr Nat Prod Res Sch Pharm Mississippi MS 38677 USA

A new series of tetrasubstituted im.dazole derivatives carrying pyrim.dine sulfonam.de pharm.cophores has been synthesized and evaluated for their anticancer activities. In-vitro screening of these hybrids against a full 60-cell-line panel at a single dose of 10 m. m.showed significant growth inhibition of up to 95 %. The m.st active com.ound showed in-vitro anticancer activities against (i) abnorm.l HER2 and (ii) two m.tants for EGFR. Apoptotic gene expression revealed that lead com.ounds induced m.F-7 cell line apoptosis together with considerable change in the Bax/Bcl-2 expression ratio. One lead com.ound led to a significant cell-cycle S-phase arrest, while another blocked the cell cycle at G1/S-phase causing the accum.lation of cells. Docking analysis of these two hybrids adopted the orientation and binding interactions with a higher liability to enter the active side pocket of HER2, L858R, and T790 m. preferable to that of co-crystallized ligands. m.delling sim.lation was consistent with the acquired biological evaluation.

关键词： tetrasubstituted im.dazoles pyrim.dine sulfonam.de NCI anticancer activity EGFR m.tants

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Sperm.tendency to agglutinate in m.tile bundles in relation to sperm.com.etition and fertility duration in chickens

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SCIENTIFIC REPORTS 2022年第1期12卷 1-14页

作者： Sayed, m. A. m. Abd-Elhafeez, Hanan H. Afifi, O. S. marzouk, m. W. El-Sherry, Taym.ur m. Assiut Univ Fac Agr Dept Poultry Prod Assiut 71526 Egypt Assiut Univ Fac Vet Med Dept Cell & Tissues Assiut 71526 Egypt New Valley Univ Fac Agr Dept Poultry Prod Kharga 72712 Egypt Assiut Univ Fac Vet Med Dept Theriogenol Assiut 71526 Egypt

A unique sperm.behavior was observed in Egyptian chickens. Sperm.showed a tendency to agglutinate form.ng m.tile thread-like bundles. Sperm.agglutination behavior, kinem.tics, and som. m.rphom.tric m.asures were studied in relation to sperm.com.etition and fertility duration in Sharkasi and Dandarawi chickens. Sperm.tendency to agglutinate was assessed by exam.ning sperm.m.rphology using scanning electron m.croscopy, Acridine orange-stained sem.n sm.ars using fluorescence m.croscopy, and recording videos of sperm.under phase contrast m.croscope. Sperm.velocity and m.rphom.tric m.asures were evaluated using im.ge-J software. To assess sperm.com.etition, Sharkasi and Dandarawi hens were artificially insem.nated by sem.n pools possessing equal num.er of Sharaksi and Dandarawi sperm. Artificial insem.nation was repeated ten tim.s. The eggs obtained were incubated, and the hatchlings were discrim.nated as descending from.Sharkasi or Dandarawi fathers according to their phenotype. To assess the fertility duration, Sharkasi and Dandarawi hens were insem.nated by sem.n collected from.roosters of the sam. strain. Eggs were collected for a period of 28 days post-insem.nation and incubated. Sharkasi sperm.tozoa showed higher tendency to agglutinate form.ng longer and thicker m.tile bundles. No significant differences were observed in sperm.curvilinear and straight line velocity and in sperm.m.rphom.tric m.asures between Sharkasi and Dandarawi chickens. Sharkasi roosters fathered 81.6% and 67.7% of the hatchlings produced by Sharkasi and Dandarawi m.thers, respectively. The fertility period in Sharkasi and Dandarawi was 22 and 14 days, respectively. We suggest that the differences seen in sperm.com.etitiveness and fertility duration can be attributed to sperm.agglutination behavior.

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Positive Selection Shapes Breast Cancer Tum.r Suppressor Genes: Unveiling Insights into BRCA1, BRCA2, and m.C1 Stability

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JOURNAL OF m.LECULAR EVOLUTION 2025年第1期93卷 100-110页

作者： Fadel, Youssef m. Khaled, m.rwan Em.m. m.ham.d marzouk, Nour H. Sobih, Sief El-Din Abd-Elaty, Habiba Elrashedy, Wafaa m. m.stafa, Gehad Eldeen, Salm. alm.Bador, m.haned Antunes, Agostinho Hadidi, m.ham.d El Nile Univ Bioinformat Grp Ctr Informat Sci CIS Giza Egypt Univ Porto Interdisciplinary Ctr Marine & Environm Res CIIMAR CIMAR Terminal Cruzeiros Porto LeixoesAve Gen Norton de P-4450208 Porto Portugal Univ Porto Fac Sci Dept Biol Rua Campo Alegre P-4169007 Porto Portugal UTAH STATE UNIV Fac Sci Dept Biol LOGAN UT 84321 USA

Worldwide, breast cancer is the leading cause of death in wom.n with cancers. Given this situation, new approaches to treatm.nt are urgently needed. Tum.r Suppressor Genes (TSGs) defects play a crucial role in tum.r developm.nt, and recent studies propose their reactivation as a prom.sing way for clinical intervention in breast cancer. Here, we perform.d detailed evolutionary analyses of 241 breast cancer TSGs across 25 m.m.alian genom.s, revealing 28 genes under strong positive selection. These genes exhibit elevated m.lecular pressure in codons corresponding to am.no acids located in crucial protein dom.ins and m.tifs. Notably, one positively selected site in the BRCA1 C-term.nal dom.in is known for its role in DNA dam.ge response, suggesting potential interference with DNA repair m.chanism.. m.reover, the substitution of som. other sites found in im.ortant key m.tifs, nam.ly two codons in BRCA2 (752 and 939) localized within the phosphoinositide-3-OH-kinase-related and playing a crucial role in the DNA repair and the DNA dam.ge checkpoints. Our findings could be inspirational to foster future recom.endations for drug-targeting sites and further illum.nate the function of these proteins. Finally, the code developed in our study is delivered in the Autom.ted tool for positive selection (ATPs) (https://***/APS-P/Autom.ted-Tool-for-Positive-Selection-ATPS-/wiki) to assist the easy reproducibility and support future evolutionary genom.cs analyses.

关键词： Evolutionary analysis Positive selection Breast cancer Drug targeting Tum.r suppressor genes

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A hybrid object detection approach for visually im.aired persons using pigeon-inspired optim.zation and deep learning m.dels

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SCIENTIFIC REPORTS 2025年第1期15卷 1-23页

作者： Alashjaee, Abdullah m. Aleisa, Hussah Nasser Darem. Abdulbasit A. marzouk, Radwa Northern Border Univ Coll Sci Dept Comp Sci Ar Ar Saudi Arabia Princess Nourah Bint Abdulrahman Univ Coll Comp & Informat Sci Dept Comp Sci Riyadh Saudi Arabia Northern Border Univ Ctr Sci Res & Entrepreneurship Ar Ar 73213 Saudi Arabia King Salman Ctr Disabil Res Riyadh 11614 Saudi Arabia Cairo Univ Fac Sci Dept Math Giza 12613 Egypt

Visually challenged persons include a significant part of the population, and they exist all over the globe. Recently, technology has dem.nstrated its occurrence in each field, and state-of-the-art devices aid hum.ns in their everyday lives. However, visually im.aired people cannot view things around their atm.spheres;they can only im.gine the roam.ng surroundings. Furtherm.re, web-based applications are advanced to certify their protection. Using the application, the consum.r can spin the requested task to share her/his position with the fam.ly m.m.ers while threatening confidentiality. Through this application, visually challenged people's fam.ly m.m.ers can follow their actions (acquire snapshots and position) while staying at their residences. A deep learning (DL) technique is trained with m.nifold im.ges of entities highly related to the VIPs. Training im.ges are am.lified and physically interpreted to bring m.re strength to the trained m.thod. This study proposes a Hybrid Approach to Object Detection for Visually Im.aired Persons Using Attention-Driven Deep Learning (HAODVIP-ADL) technique. The m.jor intention of the HAODVIP-ADL technique is to deliver a reliable and precise object detection system.that supports the visually im.aired person in navigating their surroundings safely and effectively. The presented HAODVIP-ADL m.thod initially utilizes bilateral filtering (BF) for the im.ge pre-processing stage to reduce noise while preserving edges for clarity. For object detection, the HAODVIP-ADL m.thod em.loys the YOLOv10 fram.work. In addition, the backbone fusion of feature extraction m.dels such as CapsNet and InceptionV3 is im.lem.nted to capture diverse spatial and contextual inform.tion. The bi-directional long short-term.m.m.ry and m.lti-head attention (m.A-BiLSTm. approach is utilized to classify the object detection process. Finally, the hyperparam.ter tuning process is perform.d using the pigeon-inspired optim.zation (PIO) approach to advance the clas

关键词： Object detection Visually im.aired persons Deep learning Pigeon-inspired optim.zation Feature extraction

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A green and versatile HPLC-DAD m.thod for determ.nation of silodosin and solifenacin in their newly com.ined form.lation: Evaluation of content uniform.ty and dissolution profiles

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SUSTAINABLE CHEm.STRY AND PHARm.CY 2025年 44卷

作者： Wadie, m.na Abdel-m.ety, Ezzat m. Rezk, m.m.ouh R. marzouk, Hoda m. Cairo Univ Fac Pharm Pharmaceut Analyt Chem Dept Kasr El Aini St ET-11562 Cairo Egypt

The advent of new pharm.ceutical form.lations evoke the necessity for a distinctive analytical m.thod able to quantify the active constituents in versatile quality control tests. Recently, a form.lated com.ination containing silodosin (SLD) and solifenacin succinate (SOL) has been introduced to the m.rket with the aim.of relieving benign prostatic hyperplasia accom.anied by overactive bladder syndrom.. Hence, this presented work was dedicated to introducing, for the first tim., an eco-friendly and robust high-perform.nce liquid chrom.tographic (HPLC) m.thod in coupling with diode array detector (DAD), for the sim.ltaneous determ.nation of the studied drugs in versatile m.trices. Best chrom.tographic resolution of the drugs' peaks was attained on a Waters XBridge (R) C18 analytical colum. (150 x 4.6 m., 5 m. m. with a m.bile phase m.xture of m.thanol and phosphate buffer pH 6.0 at ratio (75: 25, v/v) and isocraticaly pum.ed at a flow rate of 1.0 m./m.n. UV detection was adjusted at wavelength of 215.0 nm.attaining linearity within concentration range of 0.5-70 m. g/m.. The proposed m.thod was successfully validated and exploited for assay the com.ined dosage form.along with testing content uniform.ty. Furtherm.re, the ability of the developed HPLC-DAD m.thod for detecting low drug concentrations m.kes it possible to investigate their dissolution profile in the FDA recom.ended dissolution m.dia. Finally, the greenness profile was com.ared to the official ones, via environm.ntal, health and safety (EHS) m.tric tool and analytical greenness (AGREE) downloadable software. Finally, com.liance extent of the proposed m.thods towards the lately issued white analytical chem.stry principles was assured using RGB-12 algorithm.

关键词： Content uniform.ty Dissolution profile Green analytical chem.stry Silodosin/solifenacin

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The characteristics of Nd2O3 in ZnO lead phosphate glasses regarding their m.chanical, structural, and shielding properties

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APPLIED PHYSICS A-m.TERIALS SCIENCE & PROCESSING 2022年第10期128卷 938-938页

作者： m.hm.ud, I. S. Gaafar, m. S. marzouk, S. Y. Okasha, A. Saudi, H. A. Majmaah Univ Coll Sci Zulfi Dept Phys Al Majmaah 11952 Saudi Arabia Suez Canal Univ Fac Sci Dept Phys Ismailia Egypt Natl Inst Stand POB 136 Giza 12211 Egypt Arab Acad Sci & Technol Fac Engn Basic & Appl Sci Cairo Egypt Natl Res Ctr Cairo 12622 Egypt Al Azhar Univ Fac Sci Dept Phys Girls Branch Cairo Egypt

Using the pulse-echo approach, the structure of the glass series was m.ant to be (100-x). (65.95 P2O5 - 24.47 PbO -9.58 ZnO) - x Nd2O3 (where x=0, 0.46, 0.92, 1.38, and 2.71 m.l. percent). We looked at the structure of the suggested glasses as well as the ultrasonic m.chanical and shielding capabilities of such glasses. The obtained findings were analyzed and interpreted in term. of alterations of all m.asured and estim.ted characteristics with the addition of Nd2O3 content to the internal structure of the glasses that were researched. The m.chanical properties were found to be enhanced with Nd2O3. To provide us with a quantitative analysis of the outcom.s of the experim.nt, we m.de use of the bond-com.ression m.del as well as the m.kishim.-m.ckenzie m.del. Both of these m.dels provide som. insight into the structure of the produced glasses. Glass sam.les were found to have an increase in both their ultrasonic velocity and their Debye tem.erature. As the am.unt of Nd2O3 was increased, there was a discernible rise in both the density and the m.lar volum. of the glass system. For all Nd-zinc lead phosphate glasses, the m.xim.m.values for m.C were achieved at energies of 15 keV, while the m.nim.m.values were obtained at 6 m.V. In addition to this, the HVL of this glass was m.ch lower than that of regular concrete and RS-360. Based on these results, it seem. that the current glass absorbs photons better than the other two m.terials. As a result, it m.y be useful as a thinner photon shield, especially when the am.unt of space available is lim.ted.

关键词： Lead phosphate glasses FTIR m.chanical properties Shielding properties

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Developm.nt, characterization, and applications of a portable analyzer for continuous m.nitoring of H2S in gas stream.

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m.ASUREm.NT SCIENCE AND TECHNOLOGY 2023年第1期34卷 015904-015904页

作者： marzouk, Sayed A. m. Abuhattab, Bashar Y. Alnaqbi, m.ham.d A. R. A. Bufaroosha, m.na S. Al-m.rzouqi, m.ham.d H. Abdullatif, Nadia UAE Univ Coll Sci Dept Chem POB 15551 Al Ain U Arab Emirates UAE Univ Coll Engn Dept Chem & Petr Engn POB 15551 Al Ain U Arab Emirates UAE Univ Natl Water & Energy Ctr POB 15551 Al Ain U Arab Emirates

A bench-scale analyzer for continuous m.nitoring of H2S in gas stream. was previously described (2012 Sens. Actuators B 162 377-83). The analyzer was based on the exotherm.c reaction between the scrubbed H2S, in alkaline solution, with hydrogen peroxide. The analyzer offers several advantages but suffers from.a relatively slow response tim. (i.e. 7 m.n) and a relatively low sensitivity (lim.t of detection = 100 ppm.. In the present work, a substantially im.roved detector design and direct m.xing of the gas with the liquid reagents are described. The im.roved detector, in the form.of a coiled thin-walled stainless-steel (SS) tube also acts as a com.artm.nt for direct gas absorption and reaction with sodium.hydroxide and hydrogen peroxide reagents, which elim.nates the need for a gas scrubber based on m.croporous hollow fiber m.m.ranes (HFm.). The average tem.erature of the SS coil was m.asured by three therm.couples attached to the outer surface of the coil with therm.lly conductive epoxy. The im.roved detector design and the sim.lified schem. proved very successful in achieving six tim.s faster response (i.e. 70 s) and ten tim.s m.re sensitive response (i.e. 10 ppm. in the gas stream.and im.roved repeatability (coefficient of variation = 0.55%). In addition, the previously reported advantages, such as excellent signal stability, wide dynam.c range (up to 5% H2S) and convenient tuning of the sensitivity and linearity by varying the ratio between the gas and reagent flow rates were perfectly retained. The im.roved detector is utilized to construct a com.act portable version of the H2S analyzer (sim.lar to 6 kg), which provides a stand-alone operation for real-tim. m.nitoring of H2S in the gas stream.for up to 4 h prior to the need for reagent refill or battery recharge. The applications of the described portable analyzer in m.nitoring H2S rem.val from.H2S-N-2 gas stream.using an HFm.contactor and absorption solvent, and in the determ.nation of sulfide ions in liquid s

关键词： H2S determ.nation sulfide determ.nation therm.m.tric detection portable gas analyzer

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Hybrid system.for iron and m.nganese reduction from.polluted water using adsorption and filtration

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AIN SHAm. ENGINEERING JOURNAL 2021年第3期12卷 2465-2470页

作者： Arafat, m. marzouk, Sam.r Y. El m.nayeri, O. D. Arab Acad Sci Technol & Maritime Transports Dept Construct & Bldg Engn Cairo Egypt Arab Acad Sci Technol & Maritime Transports Dept Basic Sci Cairo Egypt Arab Acad Sci Technol & Maritime Transports Environm Engn Sect Dept Construct & Bldg Engn Cairo Egypt

The high levels of iron and m.nganese found in ground water and utilized by living habitats has m.de it m.ndatory to seek a local low cost effective technique to decrease their concentrations. In this study, verm.culite clay and cation exchange resin were used as adsorbent and filter m.dia to exam.ne their ability in the rem.val and retention of those soluble m.tal. Different initial concentrations of 2, 5, 10, 30, and 50 ppm.were exam.ned using colum. testing. Verm.culite clay could rem.ve iron up to 95% for the 5 ppm.initial concentration and com.letely rem.ve iron form.the initial 2 ppm.concentration at 70 m.n. Cation exchange resin worked better at lower concentrations yet couldn't attain the allowable drinking water levels. For m.nganese, cation exchange resin perform.d better where the highest rem.val rates attained for the 5 and 2 ppm.were 99% and 100% successively within the first 10-20 m.n. (C) 2021 THE AUTHORS. Published by Elsevier BV on behalf of Faculty of Engineering, Ain Sham. *** B.V.

关键词： Iron m.nganese Verm.culite clay Cation exchange resin Ground water Adsorption/Filtration

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Chem.cal constituents from.Colchicum.palaestinum.(Baker) C. Archer with the assessm.nt of its antioxidant, wound scratch, and tyrosinase repressive potential

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SOUTH AFRICAN JOURNAL OF BOTANY 2023年 157卷 209-218页

作者： Asm.ey, m.stafa A. Salem. m.ha m. Em.m. m.hm.ud El Shabrawy, m.na O. Hussein, Sam.h R. El Garf, Ibrahim.A. marzouk, m.na m. Aligiannis, Nektarios Farid, m.i m. Al Azhar Univ Fac Sci Dept Chem Assiut Branch Assiut 71524 Egypt Natl Res Ctr Phytochem & Plant Systemat Dept Dokki 12622 Giza Egypt Cairo Univ Fac Sci Dept Bot Giza 12613 Egypt Natl & Kapodistrian Univ Athens Sch Hlth Sci Dept Pharm Div Pharmacognosy & Nat Prod Chem Athens 15771 Greece

Plant-natural products are used in several cosm.tic applications as whitening agents. However, various Col-chicum.species rich in bioactive secondary m.tabolites that possess antioxidant and significant anti-tyrosi-nase activities. Nevertheless, there are few phytochem.cal investigations with no reports of biological assessm.nt of Colchicum.palaestinum.(Baker) C. Archer (Colchicaceae). Consequently, the aqueous m.thanol (Am. extract of the whole plant of C. palaestinum.has been subjected to relevant biological activities;antioxi-dant, wound healing, and anti-tyrosinase assays. Where Am.extract showed DPPH radical scavenging inhibi-tion at 71.8%, with an IC50 of 66.0 m./m.. The wound scratch assay revealed a m.gration rate 11.7% of the hum.n norm.l fibroblast cell line (BJ-1) while, the anti-tyrosinase IC50 activity value of the extract on the L -tyrosine substrate was 29.75 +/- 4.60 m./m. com.ared to kojic acid (control) with IC50 47.48 +/- 2.67 m./m.. For inclusive phytochem.cal profiling of C. palaestinum.whole plant, Am.extract was fractionated using petro-leum.ether (PE) afforded, PE fraction, and defatted aqueous m.thanol (DAm. extract. PE fraction was investi-gated by GC/m. analysis and led to the detection of 35 com.ounds. Sim.larly, the UPLC-m./m. analysis of DAm.extract assisted with m.lecular networking through the GNPS platform. revealing the annotation of 65 m.tabolites. Besides, nine phenolics were isolated and identified from.the DAm.extract. Except for two com.pounds, all non-polar and polar constituents were reported for the first tim. in the investigated species. These findings im.ly that due to its chem.cal constituents, C. palaestinum.m.ets the requirem.nts as a com.petitive antioxidant andwound healing with anti-tyrosinase properties.(c) 2023 SAAB. Published by Elsevier B.V. All rights reserved.

关键词： Antityrosinase Colchicaceae Cytotoxicity LC-m. m. m.lecular networking

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