Antifungal activity of oily core PEGylated PLGA nanocapsules loaded with Penicillium oxalicum fungal extract: in vitro, in vivo, and in silico study Engy Elekhnawy, Dalia H. Abdelkader, Duaa Eliwa, Sarah Ibrahim, Moataz A. Shaldam, et al. Microbial Cell Factories, 2026 The rise of difficult-to-treat fungal infections necessitates novel therapeutic strategies. In this study, endophytic fungi were isolated from Acalypha hispida leaves and molecularly identified as Penicillium oxalicum via 18S rRNA sequencing. LC–MS/MS analysis of the fungal extract revealed major bioactive compounds, including linoleic acid, sinapinic acid, alternariol monomethyl ether, ellagic acid, and kaurenic acid. Oily-core poly (ethylene glycol) methyl ether-block-poly(lactide- co -glycolide) nanocapsules (PEGylated PLGA NCs) were developed to encapsulate the fungal extract, improving stability and bioavailability. The PEGylated PLGA NCs exhibited controlled particle size, positive surface charge, and spherical morphology. In vitro, the PEGylated PLGA NCs demonstrated antifungal activity against Candida albicans with inhibition zones of 10–14 mm. In vivo, treatment significantly improved histological features of the kidney, liver, and spleen, and reduced tumor necrosis factor-alpha and cyclooxygenase-2 expression. In silico studies further confirmed the potential of the major compounds of the fungal extract to inhibit C. albicans aspartic proteinases SAP4-6. These findings suggest that PEGylated PLGA NCs loaded with P. oxalicum extract represent a promising antifungal therapeutic strategy.
Molecular Boomerangs Against Cancer: Design, Synthesis, Biological Evaluation, and In Silico Study of Novel Dual PARP-1/EGFR Inhibitors Haytham O. Tawfik, Amr Tayel, Salma M. Hefny, Tarfah Al‐Warhi, Nada K. Sedky, et al. Drug Development Research, 2026 A possible method for improving anti‐cancer efficacy is the combination of the inhibition of epidermal growth factor receptor (EGFR) and poly (ADP‐ribose) polymerase‐1 (PARP‐1). This work describes the rational design, synthesis, and complete characterization of a novel class of boomerang‐shaped dual PARP‐1/EGFR inhibitors ( 3a – o ). HepG‐2 and MDA‐MB‐231 cancer cell lines were used to test the synthesized compounds’ antiproliferative potential; MDA‐MB‐231 cells showed greater sensitivity. Compounds 3h , 3i , and 3j had the strongest cytotoxic effects among the series, with IC 50 values of 0.23, 0.90, and 1.40 µM, respectively, against MDA‐MB‐231 cells. Compared with the reference medications erlotinib and olaparib, compound 3h showed the highest dual inhibition (EGFR IC 50 = 1.62 µM and PARP‐1 IC 50 = 0.36 µM) in enzymatic experiments, demonstrating that these compounds effectively inhibited both EGFR and PARP‐1. Compound 3h strongly promoted apoptosis in MDA‐MB‐231 cells, increasing the total apoptotic population to 20.04% and causing G1‐phase cell‐cycle arrest, as determined by mechanistic studies. In vivo tumor growth inhibition trials showed a tumor inhibition rate (TIR%) of 41.4% for compound 3h compared to 48.8% for doxorubicin (DOX). Liver function biomarkers and hematological parameters remained within the acceptable levels following compound 3h treatment. The dual‐target activity of compound 3h was further validated by molecular docking and molecular dynamics simulations, which demonstrated persistent binding contacts within the active sites of PARP‐1 and EGFR.
Thiazole-Semicarbazone Hybrids as Dual-Stage Inhibitors of Leishmania major Growth: Design, Synthesis, and Mechanistic Insights Moataz A. Shaldam, Haytham O. Tawfik, Abdelrahman I. Zain‐Alabdeen, Rehan Monir, Mohamed R. Elnagar, et al. Drug Development Research, 2026 As a neglected tropical disease, Leishmaniasis continues to pose a serious threat to world health, especially in areas with limited resources. There is a pressing need for safer and more effective antileishmanial drugs due to the limited efficacy, toxicity, and rising resistance of available agents. We report the rational design, synthesis, and biological evaluation of a novel series of 15 hybrid compounds ( 3a‐o ), utilizing the thiazole and semicarbazone pharmacophores, two privileged scaffolds recognized for their wide range of biological activity. Both intracellular amastigote and promastigote forms of Leishmania major were used to test the synthesized compounds' antileishmanial potential. With IC₅₀ values ranging from 2.97 to 10.18 µM against promastigotes and from 3.47 to 12.36 µM against amastigotes, a number of compounds demonstrated greater activity than the reference medication miltefosine. Selectivity indices revealed that compounds 3c , 3d , 3h , and 3i were the most potent, exhibiting a desirable balance between efficacy and cytotoxicity. The robust binding affinities and consistent interactions of these lead compounds inside the PTR1 and DHFR active sites were further supported by in silico docking. In conclusion, this study presents a novel chemotype that shows great promise for future advancement as a potent and focused antileishmanial treatment.
Development & Optimization of anti-dandruff shampoo by modifying its rheological behavior Journal of Applied Cosmetology, 2015
RECENT SCHOLAR PUBLICATIONS
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Thiazole‐Semicarbazone Hybrids as Dual‐Stage Inhibitors of Leishmania major Growth: Design, Synthesis, and Mechanistic Insights MA Shaldam, HO Tawfik, AI Zain‐Alabdeen, R Monir, MR Elnagar, ... Drug Development Research 87 (2), e70275 , 2026 2026
Isatin-triazole/imidazole hybrids as dual CDK2/VEGFR2 inhibitors with potent anti-cancer activity: design, synthesis, and biological evaluations ZM Elsayed, M Balaha, HO Tawfik, EF Khaleel, MA Shaldam, ... Bioorganic Chemistry, 109790 , 2026 2026 Citations: 1
Design, synthesis, in vitro, and in silico evaluation of multi-functionalized pyrimidines as potential multitarget-directed anti-inflammatory agents A Essam, NA Osman, MA Shaldam, HA Abdel-Fattah, AM Ghanim Bioorganic Chemistry, 109700 , 2026 2026
Biphenyl urea derivatives as novel GPX4 inhibitors: ferroptosis-mediated antiproliferative activity against CNS cancer cells WM Eldehna, SM Hefny, HA Elsebaie, H Aref, AA El-Hamaky, HO Tawfik, ... Bioorganic Chemistry, 109714 , 2026 2026
Discovery of potent bisindole-based pyrazolopyridine derivatives as topoisomerase inhibitors: DNA damage induction and synergistic antileukemic activity WM Eldehna, HO Tawfik, D Veselá, M Peřina, AT Negmeldin, ZM Elsayed, ... Frontiers in Pharmacology 17, 1745220 , 2026 2026
Multistep structure-based virtual screening approach toward the identification of potential potent SARS-CoV-2 Mpro inhibitors TA Majrashi, MA El Hassab, MKAH Amin, EB Elkaeed, MA Shaldam, ... Journal of Biomolecular Structure and Dynamics 44 (4), 1696-1705 , 2026 2026 Citations: 3
Exploring the impact of the innovative compound 3-(3-(4-hydroxy-2-oxo-2 H -chromen-3-yl)-5-(pyridin-3-yl)-1 H -pyrazol-1-yl) indolin-2-one on accelerating wound … A Sabt, H Abdelmegeed, ARH Abdel-Razik, MG Thabit, M Balaha, ... Scientific Reports , 2026 2026
Antifungal activity of oily core PEGylated PLGA nanocapsules loaded with Penicillium oxalicum fungal extract: in vitro, in vivo, and in silico study E Elekhnawy, DH Abdelkader, D Eliwa, S Ibrahim, MA Shaldam, ... Microbial Cell Factories 25, 37 , 2026 2026
Chalcones as neuroprotective and anti-Alzheimer’s disease agents MA Shaldam, M Balaha, HO Tawfik, P Guglielmi, F Diomede, ... Chalcones, 351-404 , 2026 2026
Design, synthesis, and molecular modeling of novel thiazolopyridine-based inhibitors of enoyl acyl carrier protein reductase (InhA) as anti-Mycobacterium tuberculosis agents A Sabt, M Korycka-Machała, AF Kassem, AM Saleh, H Farag, ... RSC Medicinal Chemistry , 2026 2026
Piperidine-based small molecules as dual-stage antileishmanial agents targeting parasite folate pathway T Al-Warhi, HO Tawfik, NM Rashad, MA Shaldam, SN Nasralla, ... Bioorganic Chemistry, 109392 , 2025 2025 Citations: 1
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Identification of isatin-triazole-benzenesulfonamide hybrids as dual hCA IX/XII and c-met inhibitors with hypoxia-mediated chemo-sensitizing activity WM Eldehna, MR Elnagar, S Giovannuzzi, A Tayel, MH Abdulla, ... Bioorganic Chemistry, 109071 , 2025 2025 Citations: 6
Xylitol Inhibits Growth and Blocks Virulence in Serratia marcescens (vol 9, 1083, 2021) AN Khayyat, WAH Hegazy, MA Shaldam, R Mosbah, AJ Almalki, ... MICROORGANISMS 13 (10) , 2025 2025
Correction: Khayyat et al. Xylitol Inhibits Growth and Blocks Virulence in Serratia marcescens . Microorganisms 2021, 9 , 1083 AN Khayyat, WAH Hegazy, MA Shaldam, R Mosbah, AJ Almalki, ... Microorganisms 13 (10), 2233 , 2025 2025
Employing diclofenac sodium as a novel therapeutic frontier for Staphylococcus epidermidis infections AM Abo-Kamar, AA Abdelaziz, AE Ashour, MA Shaldam, E Elekhnawy Scientific Reports 15 (1), 31377 , 2025 2025 Citations: 3
Exploring antitubercular activity of new coumarin derivatives targeting enoyl acyl carrier protein reductase (InhA): Synthesis, biological evaluation and computational studies MS Ebaid, M Korycka-Machala, MA Shaldam, MG Thabit, M Kawka, ... Journal of Molecular Structure 1336, 142074 , 2025 2025 Citations: 10
Protective effect of empagliflozin against paracetamol-induced acute kidney injury through modulation of AMPK/SIRT1/PGC-1α pathway in experimental mice EM Mosalam, HS AboShabaan, MM Mahfouz, AS Sallam, E Elhosary, ... Toxicology and Applied Pharmacology 500, 117382 , 2025 2025 Citations: 3
Antimicrobial and Anti-Efflux Machinery of FDA-Approved Proton Pump Inhibitors and Vitamins Against Klebsiella pneumoniae and Pseudomonas aeruginosa LL Lutfi, MA Shaldam, MI Shaaban, SL Elshaer Microorganisms 13 (6), 1227 , 2025 2025 Citations: 2
MOST CITED SCHOLAR PUBLICATIONS
Drugs with new lease of life as quorum sensing inhibitors: for combating MDR Acinetobacter baumannii infections NM Seleem, HK Abd El Latif, MA Shaldam, A El-Ganiny European Journal of Clinical Microbiology & Infectious Diseases 39 (9), 1687 … , 2020 2020 Citations: 106
Repurposing metformin as a quorum sensing inhibitor in Pseudomonas aeruginosa HA Abbas, AM Elsherbini, MA Shaldam African health sciences 17 (3), 808 , 2017 2017 Citations: 91
In silico screening of potent bioactive compounds from honeybee products against COVID-19 target enzymes MA Shaldam, G Yahya, NH Mohamed, MM Abdel-Daim, Y Al Naggar Environmental Science and Pollution Research 28 (30), 40507-40514 , 2021 2021 Citations: 86
Multi-Spectroscopic, thermodynamic and molecular dynamic simulation studies for investigation of interaction of dapagliflozin with bovine serum albumin MA Abdelaziz, M Shaldam, RA El-Domany, F Belal Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 264, 120298 , 2022 2022 Citations: 72
1, 5-diaryl-1, 2, 4-triazole ureas as new SLC-0111 analogues endowed with dual carbonic anhydrase and VEGFR-2 inhibitory activities AE Elsawi, MM Elbadawi, A Nocentini, H Almahli, S Giovannuzzi, ... Journal of medicinal chemistry 66 (15), 10558-10578 , 2023 2023 Citations: 68
Ligand-based design on the dog-bone-shaped BIBR1532 pharmacophoric features and synthesis of novel analogues as promising telomerase inhibitors with in vitro and in vivo … AA Al-Karmalawy, MS Nafie, MA Shaldam, AA Elmaaty, SA Antar, ... Journal of Medicinal Chemistry 66 (1), 777-792 , 2022 2022 Citations: 68
Curtailing Quorum Sensing in Pseudomonas aeruginosa by Sitagliptin HA Abbas, MA Shaldam, D Eldamasi Current microbiology 77 (6), 1051-1060 , 2020 2020 Citations: 66
A Novel Use of Allopurinol as A Quorum-Sensing Inhibitor in Pseudomonas aeruginosa AA Saqr, MF Aldawsari, ES Khafagy, MA Shaldam, WAH Hegazy, ... Antibiotics 10 (11), 1385 , 2021 2021 Citations: 63
Tackling Virulence of Pseudomonas aeruginosa by the Natural Furanone Sotolon MF Aldawsari, ES Khafagy, AA Saqr, A Alalaiwe, HA Abbas, MA Shaldam, ... Antibiotics 10 (7), 871 , 2021 2021 Citations: 63
Bilosomes as nanoplatform for oral delivery and modulated in vivo antimicrobial activity of lycopene R Binsuwaidan, AA Sultan, WA Negm, NGM Attallah, MJ Alqahtani, ... Pharmaceuticals 15 (9), 1043 , 2022 2022 Citations: 62
Development of novel benzofuran-based SLC-0111 analogs as selective cancer-associated carbonic anhydrase isoform IX inhibitors M Shaldam, WM Eldehna, A Nocentini, ZM Elsayed, TM Ibrahim, R Salem, ... European Journal of Medicinal Chemistry 216, 113283 , 2021 2021 Citations: 60
Sodium Citrate Alleviates Virulence in Pseudomonas aeruginosa MT Khayat, TS Ibrahim, AN Khayyat, M Alharbi, MA Shaldam, ... Microorganisms 10 (5), 1046 , 2022 2022 Citations: 58
Xylitol Inhibits Growth and Blocks Virulence in Serratia marcescens AN Khayyat, WAH Hegazy, MA Shaldam, R Mosbah, AJ Almalki, ... Microorganisms 9 (5), 1083 , 2021 2021 Citations: 57
Anti-Biofilm and Antibacterial Activities of Cycas media R. Br Secondary Metabolites: In Silico, In Vitro, and In Vivo Approaches NGM Attallah, OM Al-Fakhrany, E Elekhnawy, IA Hussein, MA Shaldam, ... Antibiotics 11 (8), 993 , 2022 2022 Citations: 56
Discovery and mechanistic studies of dual-target hits for carbonic anhydrase IX and VEGFR-2 as potential agents for solid tumors: X-ray, in vitro, in vivo, and in silico … SM Hefny, TF El-Moselhy, N El-Din, S Giovannuzzi, T Bin Traiki, ... Journal of Medicinal Chemistry 67 (9), 7406-7430 , 2024 2024 Citations: 48
Discovery of sulfonamide-tethered isatin derivatives as novel anticancer agents and VEGFR-2 inhibitors MA Shaldam, H Almahli, A Angeli, RM Badi, EF Khaleel, ... Journal of Enzyme Inhibition and Medicinal Chemistry 38 (1), 2203389 , 2023 2023 Citations: 48
Secnidazole Is a Promising Imidazole Mitigator of Serratia marcescens Virulence AN Khayyat, HA Abbas, MT Khayat, MA Shaldam, M Askoura, HZ Asfour, ... Microorganisms 9 (11), 2333 , 2021 2021 Citations: 48
Discovery of indolinone-bearing benzenesulfonamides as new dual carbonic anhydrase and VEGFR-2 inhibitors possessing anticancer and pro-apoptotic properties S Saied, M Shaldam, MM Elbadawi, S Giovannuzzi, A Nocentini, ... European Journal of Medicinal Chemistry 259, 115707 , 2023 2023 Citations: 47
Glyceryl trinitrate is a novel inhibitor of quorum sensing in Pseudomonas aeruginosa HA Abbas, MA Shaldam African health sciences 16 (4), 1109-1117 , 2016 2016 Citations: 43
A new framework for novel analogues of pazopanib as potent and selective human carbonic anhydrase inhibitors: Design, repurposing rational, synthesis, crystallographic, in vivo … SM Hefny, TF El-Moselhy, N El-Din, A Ammara, A Angeli, M Ferraroni, ... European Journal of Medicinal Chemistry 274, 116527 , 2024 2024 Citations: 42