Syeda Aaliya

Scopus Publications

Volumetric and thermodynamic properties of potassium iodide in DMF and corn oil-DMF mixtures
Syed Muhammad Saqib Nadeem, Rehana Saeed, Syeda Aaliya Shehzadi
Journal of Thermal Analysis and Calorimetry, 2026
Treatment of industrial effluents: unlocking the adsorption potential of wheat straw ash and biochar for chlorpyrifos removal
Yasir Hayat Qayyum, Jawaria Anjum, Saima Perveen, Syeda Aaliya Shehzadi, Syed Muhammad Saqib Nadeem
New Journal of Chemistry, 2026
This work presents a novel approach for the removal of chlorpyrifos (CPF) from wastewater effluents through adsorption onto agricultural wheat straw waste.
Synthesis, Anti-enzymatic Appraisal, In Silico, and SAR Analysis of 5-Aryl/Heteroaryl-2,2-dimethyl-1,3-dioxane-4,6-dione Derivatives
Saira Khatoon, Haroon Mehfooz, Syeda Aaliya Shehzadi, Aamer Saeed, Saima Kalsoom, Pervaiz Ali Channar, Hammad Ismail, Abdul Rauf, Sana Naveed, Parham Taslimi, Hesham El‐Seedi
Chemistryselect, 2025
A sequence of new 5‐aryl/heteroaryl‐2,2‐dimethyl‐1,3‐dioxane‐4,6‐dione derivatives were synthesized by condensing Meldrum's acid and triethyl orthoformate with differently substituted aromatic and heteroaromatic amines in good to excellent yields. The chemical structures were characterized by spectroscopic techniques and the synthesized entities were evaluated for chymotrypsin and urease inhibition. Interestingly, among the synthesized derivatives, compound containing 5‐nitropyridin‐2‐yl ring exhibited dual inhibition activities with IC50 value (8.67 ± 0.1) close to the control (Chymostatin:8.24 ± 0.11) against chymotrypsin; and (29.21 ± 0.98) close to the control (Thiourea:21.25 ± 0.15) urease in µM concentration. Further, molecular docking analysis was performed on the 3D crystal structure of Jack bean urease protein and a serine proteinase α‐chymotrypsin with synthesized ligands, to observe the binding interactions. All the synthesized compounds docked well into the active sites of the proteins, the most active compound showed H‐bonding interaction with amino acid HIS A 594 residue through carbonyl oxygen of dioxane ring and CME A 592 through oxygen of nitro group against 3La4 urease protein, while against chymotrypsin, it revealed the hydrogen bonding between amino acids: SER C 217, GLY C 216, and SER C 190. The role of pharmacophore was evaluated using the diverse substituents on aromatic/heteroaromatic rings, and on the basis of that SAR was developed.
In Vitro and In Silico Assessment of Antileishmanial Potential of Novel Tri- and Penta-Valent Antimony Complexes With Phenolic Ligands
Syeda Aaliya Shehzadi, Faiz Ahmed, Arshad Islam, Zeshan Ahmed, Khizar Abdullah, Farhan Younas, Ali Haider, Muhammad Tariq, Ahmed Noureldeen, Bander Albogami, Hadeer Darwish, Fatemah Enad M. Alajmi
Drug Development Research, 2025
Leishmaniasis, caused by protozoan parasites of the genus Leishmania, affects nearly 12 million people annually worldwide, and has limited, highly toxic therapeutic options. This study reports the synthesis, in vitro and in silico evaluations of four novel antimony complexes (3a‐3d) as potent and safe antileishmanial agents. The complexes were synthesized using Sb‐salts with different phenolic ligands and characterized by elemental analysis, FT‐IR and NMR spectroscopic techniques. Structural parameters were further evaluated via DFT studies. The antileishmanial activity of these complexes (3a‐3d) was assessed in vitro against promastigote and axenic amastigote forms of Leishmania tropica, showing promising potential as antileishmanial agents. Complex 3a and 3c were particularly active, with IC50 values of 10.8 ± 2.1 and 11.0 ± 2.0 μmol/L against promastigotes, and 20.14 ± 6.11 and 27.72 ± 0.13 μmol/L against amastigotes, respectively. Molecular docking analysis against receptor protein (PDB ID: 8FI6) from genus Leishmania revealed high binding conformations of synthesized molecules within the active cavity of the target protein. With the lowest Ki value of 1.25 and a pattern of hydrophobic π‐interactions and strong conventional hydrogen bonds, complex 3d demonstrated excellent binding affinities within the active pocket. Notably, these complexes exhibited low cytotoxicity, compared to the standard antileishmanial drugs, TA (potassium antimonyl tartrate) and AmB (Amphotericin B), with hemolysis rates of < 12% for all complexes. Our findings suggest that these complexes (3a‐3d) are promising candidates for the development of new, safer antileishmanial therapies, combining potent activity against L. tropica with significantly lower cytotoxicity compared to existing treatments.
Biochemical Screening, In-vitro and In-silico Characterization of Citrullus colocynthis Fruit Extracts: A Combined Experimental and Computation Study
Syeda Aaliya Shehzadi, Muhammad Ayaz Ashraf, Nusrat Shafiq, Fatima Rida, Aneela Javed, Farhan Younas, Waqar-Un-Nisa, Waleed Younus
Current Pharmaceutical Biotechnology, 2025
Background: Several medicinal plants are identified as therapeutic agents for the world’s most deadly disease cancer. A member of the "Cucurbitaceae" family of medicinal plants, Citrullus colocynthis (C. colocynthis) has various pharmacological actions. Aims and Objectives: In the present study we have focused on the phytochemical analysis, antimicrobial, anticancer and in silico investigation of fruit extracts of C. colocynthis. The chloroform, pure ethanolic and aq. ethanolic extracts of C. colocynthis whole fruit, peel and pulp separately have been investigated. Methods: The phytochemical analysis revealed the presence of alkaloids, flavonoids, steroids, phenols, saponins and glycosides in various parts of the fruit. Some compounds have been identified using GC-MS analysis by comparing with NIST library data. The antimicrobial activity of all extracts was checked by agar well diffusion method against five different bacterial strains such as A. baumannii, K. pneumonia, S. aureus, P. aeruginosa and E. coli. The zone of inhibition (ZOI) ranged between 11 mm to 27 mm against different strains. Results: The polar solvent extracts (ethanolic and aq. ethanolic extract) of peel showed good sensitivity against all bacterial strains as compared to non-polar solvent (chloroform extract), which showed activity only against Staphylococcus aureus and Pseudomonas aeruginosa. The cytotoxic activity of C. colocynthis all extracts against human brain cancer cell lines (U-87) was assessed using MTT assay. Conclusion: The % cell viability of ethanolic (ET-PL), and aq. ethanolic extract of whole fruit and pulp showed promising results. The cancerous cell line U-87 seems to be more sensitive towards polar solvents (ethanolic and aq. ethanolic) pulp extracts than peel. Further, based on invitro results, compounds identified in ET-PP were screened for their potential as antibacterial and anticancer agents through molecular docking and MMGBSA studies. These studies strongly supported the in-vitro study results and identified new drug candidates.
Investigating chronic myeloid leukemia therapeutics: AI-optimized design and synthesis of 4-methylthiazole-2-amine derivatives with translocation control activity
Zaheer Ahmad, Labaina Shakoor, Sajid Mahmood, Aneeqa Batool, Nusrat Shafiq, Aniqa Moveed, Syeda Aaliya Shehzadi, Mohamed Mohany, Lei Zhang, Salim S. Al-Rejaie, Humaira Razzaq
Rsc Advances, 2025
A series of 4-methylthiazole-2-amine derivatives (3a–f, 6g–j and 7) were prepared via a Hantzsch-type multicomponent reaction and characterized by FT-IR, 1 H-NMR and 13 C-NMR spectroscopy techniques.
Azadirachta indica assisted green synthesis of magnetic Ag/GO-Fe3O4 nanocomposites for the solid-phase extraction of tetracyclines from milk
Jawaria Anjum, Syeda Aaliya Shehzadi, Muhammad Sajid, Ifzan Arshad, Muhammad Sajjad, Ayesha Siddique, Khizra Abdul Jabbar
Journal of the Chinese Chemical Society, 2024
Antibiotics are frequently used as growth boosters in animal husbandry. Tetracyclines (TCNs) are among the most widely used antibiotics compared to others, leaving traces in animal‐based foodstuffs like milk and meat. Thus, monitoring of TCNs is paramount, especially in the feedstuff. In the present study, a green method is developed to synthesize magnetic Ag/GO‐Fe3O4 nanocomposites using Azadirachta indica leaf extract. The synthesized adsorbent (Ag/GO‐Fe3O4) was analyzed for the residual extraction of oxytetracycline (OTC) and chlortetracycline (CTC) from the fresh milk samples through the magnetic solid‐phase extraction principle. The extraction procedure involved the deproteinization of milk, spiking with antibiotics, followed by magnetic solid‐phase extraction and quantification of TCNs by HPLC with a UV detector. Different factors that affected the adsorption capacity of the adsorbent for the TCNs like pH, temperature, amount of nanocomposite, and time were studied. The inter‐day and intra‐day precision were calculated for OTC (4% and 6%) and CTC (3% and 4%), respectively. The limit of detection and quantification for OTC was 0.5 and 1.5 μgL−1 and for CTC was 0.2 and 0.6 μgL−1 respectively while the percentage extraction was 94%–96%.
Synthesis and Characterization of Novel Carbazole Based Dyes
Mati Ur Rehman Khan, Anwar Abbas Khan, Syeda Aaliya Shehzadi, Rahat Ullah, Khurram Shahzad Munawar, Muhammad Irfan
Asian Journal of Chemistry, 2024
In this work, 9H-carbazole acted as precursor to synthesize a new organic dye, which involved the alkylation of carbazole with butyl bromide in the presence of phase transfer catalyst tetrabutylammonium bromide (TBAB) to give BC (9-butyl-9H-carbazole) followed by the formylation with hexamethylenetetramine (HMTA) in the presence of trifluoroacetic acid (TFA) and tetrahydrofuran (THF). Formyl groups at 3- and 3,6-positions afforded CC (9-butyl-9H-carbazole-3-carbaldehyde) and CD (9-butyl-9H-carbazole-3,6-dicarbaldehye), respectively. The formylation reaction with HMTA suffered with low yield, therefore another methodology was adopted for the formylation of BC with POCl3 in the presence of dry DMF to afford CC and CD. Then condensation reaction was carried out CC and CD with cyanoacetic acid in the presence of ammonium acetate as catalyst. This reaction resulted in formation of CA (3-(9-butyl-9H-carbazol-3-yl)-2-cyanoacrylic acid) and DA (3,6-(9-butyl-9H-carbazol-3-yl)-2,2'-cyanoacrylic acid. All the synthesized compounds were characterized by FTIR, GC-MS, MS and UV-visible methods. The UV-Visible absorption spectra of CA was observed at 239 nm while the absorption region is from 190 nm to 340 nm and DA shows the absorption peak at 320 nm while the absorption region is from 290 to 440 nm. The energy band gaps for CA and DA were found to be 5.2 eV and 3.6 eV, respectively.
Recent advances in colorimetric and fluorescent chemosensors based on thiourea derivatives for metallic cations: A review
Mian Muhammad, Sikandar Khan, Syeda Aaliya Shehzadi, Zarif Gul, Hamed M. Al-Saidi, Abdul Waheed Kamran, Fahad A. Alhumaydhi
Dyes and Pigments, 2022
Identification of two novel thiazolidin-2-imines as tyrosinase inhibitors: synthesis, crystal structure, molecular docking and DFT studies
Syeda Aaliya Shehzadi, Aamer Saeed, Fouzia Perveen, Pervaiz Ali Channar, Ifzan Arshad, Qamar Abbas, Saima Kalsoom, Sammer Yousaf, Jim Simpson
Heliyon, 2022
Various N- and S-containing 5-membered heterocycles such as imidazole-2-thiones, thiazolidinones and thiazolidin-2-imines are among the most eminent biologically active organic heterocycles and are present in many marketed drugs. In view of their synthetic and biological significance, an efficient synthesis of two novel thiazolidine-2-imines (4a-b) utilizing a three-component one-pot approach starting from an aldimine, an alkyne and isothiocyanates has been developed. The reaction proceeded via a 5-exo digonal (5-exo dig) cyclization of a propargyl thiourea, formed in situ in the presence of Zn(II)-catalyst. The structures of the resulting products are elucidated by spectroscopic methods and X-ray crystallography. A DFT study explored the structural, thermodynamic and molecular electrostatic potential parameters for the compounds. The newly synthesized compounds (4a & 4b) were evaluated for the inhibition of tyrosinase both in vitro and in silico. The in vitro results revealed that the synthesized thiazolidine-2-imines (4a-b) showed good inhibition activity towards mushroom tyrosinase (IC50 = 1.151 ± 1.25 and 2.079 ± 0.87 μM respectively) in comparison to the kojic acid standard (IC50 = 16.031 ± 1.27 μM) a commonly used anti-pigment agent in plant and animal tissues. The experimental inhibition was further assessed by molecular docking studies between synthesized ligands and the human tyrosinase protein complex to investigate the intermolecular interactions responsible for tyrosinase inhibition activity.
Design and fabrication of Fe2O3/FeP heterostructure for oxygen evolution reaction electrocatalysis
Iqbal Ahmad, Jawad Ahmed, Saima Batool, Muhammad Nadeem Zafar, Amna Hanif, Zahidullah, Muhammad Faizan Nazar, Anwar Ul-Hamid, Uzma Jabeen, Alaa Dahshan, Muhammad Idrees, Syeda Aalia Shehzadi
Journal of Alloys and Compounds, 2022
Identification of a novel click-derived 1,2,3-triazole as selective Hg2+ ion detector: computational and experimental investigations
Rabail Ujan, Nasima Arshad, Fouzia Perveen, Pervaiz Ali Channar, Bhajan Lal, Mumtaz Hussain, Zahid Hussain, Aamer Saeed, Syeda Aaliya Shehzadi
Chemical Papers, 2021
Hydrazine clubbed 1,3-thiazoles as potent urease inhibitors: design, synthesis and molecular docking studies
Pervaiz Ali Channar, Aamer Saeed, Saira Afzal, Dilawar Hussain, Markus Kalesse, Syeda Aaliya Shehzadi, Jamshed Iqbal
Molecular Diversity, 2021
DFT and TDDFT Studies of Non-Fullerene Organometallic Based Acceptors for Organic Photovoltaics
Shafiq-ur-Rehman, Shaista Ghafoor, Shamsa BiBi, Abida Kausar, Shaukat Ali, Sadia Asim, Asim Mansha, Syeda Aaliya Shehzadi, Ran Jia
Journal of Inorganic and Organometallic Polymers and Materials, 2021
Bis-Schiff bases of 2,2′-dibromobenzidine as efficient corrosion inhibitors for mild steel in acidic medium
Ifzan Arshad, Aamer Saeed, Pervaiz Ali Channar, Syeda Aaliya Shehzadi, Muhammad Naeem Ahmed, Muhammad Siddiq
Rsc Advances, 2020
Synthesis, antibacterial activity and molecular docking study of vanillin derived 1,4-disubstituted 1,2,3-triazoles as inhibitors of bacterial DNA synthesis
Mumtaz Hussain, Tahir Qadri, Zahid Hussain, Aamer Saeed, Pervaiz Ali Channar, Syeda Aaliya Shehzadi, Mubashir Hassan, Fayaz Ali Larik, Tarique Mahmood, Arif Malik
Heliyon, 2019
Synthesis of a Contrapositionally Substituted Cyclohexa- meta -phenylene: A Ready-to-Use Precursor for Cyclohexa- meta -phenylene-Based Materials
Ifzan Arshad, Aamer Saeed, Pervaiz Ali Channar, Syeda Aaliya Shehzadi, Rana Muhammad Irfan
Synlett, 2019
Synthesis, Crystal Structure, Hirshfeld Surface Analysis, DFT, and DNA-Binding Studies of (E)-2-(3-Hydroxy-4-Methoxybenzylidene)Hydrazinecarbothioamide
Pervaiz Ali Channar, Nasima Arshad, Shahid Iqbal Farooqi, Fayaz Ali Larik, Aamer Saeed, Tuncer Hökelek, Syeda Aaliya Shehzadi, Nasir Abbas, Ulrich Flörke
Applied Biochemistry and Biotechnology, 2019
Interplay between Conformation and Crystal Packing in Aryl Propargyl Ethers: Structural and Spectroscopic Properties of 2-(prop-2-yn-1-yloxy)acene Derivatives
Aamer Saeed, Syeda Aaliya Shehzadi, Michael Bolte, Carlos A. Franca, Mauricio F. Erben
Chemistryselect, 2019
One-pot four-component synthesis of thiazolidin-2-imines using Cu I /Zn II dual catalysis: A new class of acetylcholinesterase inhibitors
Syeda Aaliya Shehzadi, Imtiaz Khan, Aamer Saeed, Fayaz Ali Larik, Pervaiz Ali Channar, Mubashir Hassan, Hussain Raza, Qamar Abbas, Sung-Yum Seo
Bioorganic Chemistry, 2019
Building molecular complexity through transition-metal-catalyzed oxidative annulations/cyclizations: Harnessing the utility of phenols, naphthols and 1,3-dicarbonyl compounds
Imtiaz Khan, Aliya Ibrar, Syeda Aaliya Shehzadi
Coordination Chemistry Reviews, 2019
Synthetic Approaches Towards Antihypercholesterolemic Drug Simvastatin
Tanzeela A. Fattah, Aamer Saeed, Syeda A. Shehzadi
Current Organic Synthesis, 2019
Zn(OTf)2-Catalyzed Synthesis of 2-Alkynylazetidines and their Ring Expansion to Functionalized 1,4,5,6-Tetrahydropyridines
Syeda Aaliya Shehzadi, Khushbu Kushwaha, Hans Sterckx, Kourosch Abbaspour Tehrani
Advanced Synthesis and Catalysis, 2018
Developing hybrid molecule therapeutics for diverse enzyme inhibitory action: Active role of coumarin-based structural leads in drug discovery
Aliya Ibrar, Syeda Aaliya Shehzadi, Faiq Saeed, Imtiaz Khan
Bioorganic and Medicinal Chemistry, 2018
Zinc(II)-Catalyzed Synthesis of Propargylamines by Coupling Aldimines and Ketimines with Alkynes
Syeda Aaliya Shehzadi, Aamer Saeed, Filip Lemière, Bert U. W. Maes, Kourosch Abbaspour Tehrani
European Journal of Organic Chemistry, 2018
Synthesis of highly functionalized 1,6-dihydropyridines: Via the Zn(OTf)2-catalyzed three-component cascade reaction of aldimines and two alkynes (IA2-coupling)
Syeda Aaliya Shehzadi, Christophe M. L. Vande Velde, Aamer Saeed, Kourosch Abbaspour Tehrani
Organic and Biomolecular Chemistry, 2018
Cu(I)-catalyzed Green Synthesis of Propargyl Amines Decorated with Carbazole Moiety by A3 -Coupling
Syeda Aaliya Shehzadi, Aamer Saeed
Journal of the Chinese Chemical Society, 2017
Synthesis and Characterization of New Xanthene Derivatives, and Their Electrochemical Study
Aamer Saeed, Ghulam Shabir, Syeda Aaliya Shehzadi
Journal of the Chinese Chemical Society, 2016
Synthesis, in vitro and computational studies of 1,4-disubstituted 1,2,3-triazoles as potential α-glucosidase inhibitors
Farukh Jabeen, Syeda Aaliya Shehzadi, Muhammad Qaiser Fatmi, Sobia Shaheen, Lubna Iqbal, Nighat Afza, Siva S. Panda, Farzana Latif Ansari
Bioorganic and Medicinal Chemistry Letters, 2016
Metal-Free Synthesis of Chlorinated β-Amino Ketones via an Unexpected Reaction of Imines with Arylacetylenes in 1,1,1,3,3,3-Hexafluoro-2-propanol
Khushbu Kushwaha, Balazs Pinter, Syeda A. Shehzadi, Chandi C. Malakar, Christophe M. L. Vande Velde, Frank de Proft, Kourosch Abbaspour Tehrani
Advanced Synthesis and Catalysis, 2016

Syeda Aaliya

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Scopus Publications