Fares Hezam Al-Ostoot

Scopus Publications

Synergistic impact of Core-Shell PANI/HNT Nanofillers in polycarbonate films: Engineering structural integrity, electrical permittivity, and thermal stability for advanced energy storage systems
B.S. Shashikala, Murad Q.A. Al-Gunaid, H.M. Gayitri, T.H. Keerthan, M. Thanushree, Waleed A. Ahmed, Mohammed A.H. Dhaif-Allah, Sultan A. Al-horaibi, Fares H. Al-Ostoot
Inorganic Chemistry Communications, 2026
π-Extended Unsymmetrical Squaraine Sensitizers With Substituent-Driven Electronic and Steric Modulation for High-Performance Far-Red DSSCs
Abdullah N. Alotaibi, Sultan A. Al-horaibi, Yaaser Q. Almulaiky, Fares H. Al-Ostoot, Abdullah Al-Dakhil, J. Alkabli
International Journal of Photoenergy, 2026
Understanding how molecular structure governs interfacial charge transfer and recombination dynamics is central to improving the efficiency of dye‐sensitized solar cells (DSSCs). In this work, two π ‐extended unsymmetrical squaraine sensitizers—TSQ‐OMe and TSQ‐NO 2 —were rationally designed to elucidate the role of substituent‐driven electronic and steric modulation on photoenergy conversion. Both dyes exhibit intense far‐red intramolecular charge‐transfer (ICT)‐type absorption above 660 nm, suitable energy‐level alignment for TiO 2 electron injection, and efficient dye regeneration, as suggested by electrochemical measurements and supported by DFT/TD‐DFT calculations. When applied in DSSCs, TSQ‐OMe delivers a power conversion efficiency of 7.78% in the presence of chenodeoxycholic acid (CDCA), outperforming TSQ‐NO 2 (6.41%). Electrochemical impedance spectroscopy (EIS) reveals that the methoxy substituent suppresses interfacial recombination by increasing charge‐transfer resistance and prolonging electron lifetime, leading to enhanced open‐circuit voltage and photocurrent density. In contrast, the nitro group induces stronger molecular polarization that accelerates back‐electron transfer. These results demonstrate that precise substituent engineering in π ‐extended squaraines provides an effective strategy for regulating recombination kinetics and improving photoenergy conversion efficiency in far‐red DSSCs.
Integrated design and evaluation of a pyridazine-based SYK inhibitor: Synthesis, structural analysis, crystal engineering, DFT, MDs, and in vitro anticancer validation
Fares Hezam Al-Ostoot, P. Akhileshwari, Jigmat Stondus, Vivek H. Kameshwar, Majed S. Aljohani, Hussam Y. Alharbi, Ata Makarem, Hussien A. Khamees, Rajni Kant
Journal of Molecular Liquids, 2025
Multi-scale investigation of PQ3-quinoxaline derivatives as selective COX-2 inhibitors: synthesis, structural analysis, DFT, MD simulations, and in silico/in vitro evaluation
Fares Hezam Al-Ostoot, P. Akhileshwari, Vivek H. Kameshwar, Majed S. Aljohani, Hussam Y. Alharbi, Shwetha H. Nanjundappa, Karim Chkirate, Luc Van Meervelt, Nadeem Abad
Bioorganic Chemistry, 2025
New Marine-Inspired Oxadiazole Derivatives for Use Against Pancreatic Ductal Adenocarcinoma
Camilla Pecoraro, Daniela Carbone, Fares Hezam Mohammed Al Ostoot, Mahrou Vahabi, Giulia Lencioni, Patrizia Diana, Elisa Giovannetti, Barbara Parrino
Marine Drugs, 2025
Pancreatic ductal adenocarcinoma (PDAC) remains one of the deadliest malignancies, with limited effective therapeutic options due to late diagnosis, aggressive progression, and rapid development of drug resistance. In pursuit of novel treatments, this study reports the design, synthesis, and biological evaluation of a new series of topsentin derivatives, featuring a 1,2,4-oxadiazole core. The newly synthesized derivatives were screened for antiproliferative activity against multiple PDAC cell lines (SUIT-2, Patu-T, and PANC-1), identifying several compounds with potent growth-inhibitory effects, particularly on SUIT-2 and Patu-T cells. Further studies demonstrated that these compounds also significantly inhibited cell migration and reduced clonogenic potential, with IC50 values in the micromolar range. The results suggest that these marine-inspired 1,2,4-oxadiazole derivatives effectively target key hallmarks of PDAC, including proliferation, migration, and colony formation, supporting their further development as promising candidates for overcoming drug resistance and metastatic progression in pancreatic cancer.
Optimizing and analysing the anti-cancer potential of novel quinoline acetohydrazide (QAH): A comprehensive study involving synthesis, structural evaluation, 3D energy frameworks, DFT calculations, in vitro and in silico evaluation
Fares Hezam Al-Ostoot, P. Akhileshwari, Vivek Hamse Kameshwar, Majed S. Aljohani, Hussam Y. Alharbi, S.N. Chandana, Hussien A. Khamees, Sridhar M. A, Shaukat Ara Khanum
Journal of Molecular Structure, 2025
Molecular drug design, theoretical, experimental approaches and new framework of novel oxazol dihydroquinoxaline (ODQ): Efficient synthesis, crystallographic, computational investigation, DFT calculation, ADME analysis and antiangiogenic molecular docking
Nadeem Abad, P. Akhileshwari, Majed S Aljohani, Hussam Y Alharbi, Sana Saffour, Joel T. Mague, El Mokhtar Essassi, Youssef Ramli, Fares Hezam Al-Ostoot
Journal of Molecular Structure, 2025
Structural and theoretical exploration of a multi-methoxy chalcone: Synthesis, quantum theory, electrostatics, molecular packing, DFT analysis, and in-silico anti-cancer evaluation
Fares Hezam Al-Ostoot, P. Akhileshwari, Vivek Hamse Kameshwar, D.V. Geetha, Majed S. Aljohani, Hussam Y. Alharbi, Shaukath Ara Khanum, M.A. Sridhar
Heliyon, 2024
This study explores the pharmacological potential of chalcones through a multidisciplinary approach, including synthesis, quantum theory, molecular electrostatics, and density functional theory (DFT) calculations. The synthesized compound, analyzed via single crystal X-ray diffraction, crystallized in the triclinic system (space group P-1) with C–H⋯O interactions stabilizing its structure. Hirshfeld surface analysis confirms these interactions, with H–H contacts dominating (45.1 %). Molecular electrostatics analysis reveals charge distribution, and a 3.10 eV HOMO-LUMO energy gap indicates bioactivity. Molecular docking identifies the compound (3a) showed a maximum Gscore of HTNF-α (−9.81 kcal/mol); Tubulin (−7.96 kcal/mol); COX2 (−7.88 kcal/mol), EGFR (−6.72 kcal/mol), and VEGFR1(-2.50 kcal/mol). Where compound (3c) showed maximum binding at the putative binding site with dock scores for VEGFR2 (−9.24 kcal/mol). This research not only advances molecular science but also holds promise for diverse applications, including drug design. The significance of this study lies in its comprehensive exploration of the pharmacological potential of chalcones using a multidisciplinary approach. Through the integration of synthesis, quantum theory, molecular electrostatics, and density functional theory (DFT) calculations, we have extensively explored the structural and biochemical characteristics of these compounds. This investigation has revealed valuable insights that have the potential to lead to significant advancements in the fields of molecular science and drug design. Moreover, the molecular docking studies shed light on the compound's interaction with various biological targets. The significant binding affinities observed for these targets underscore the potential therapeutic relevance of the synthesized compound in diverse disease conditions.
An Overview of Cancer Biology, Pathophysiological Development and It’s Treatment Modalities: Current Challenges of Cancer anti-Angiogenic Therapy
Fares Hezam Al-Ostoot, Salma Salah, Shaukath Ara Khanum
Cancer Investigation, 2024
A number of conditions and factors can cause the transformation of normal cells in the body into malignant tissue by changing the normal functions of a wide range of regulatory, apoptotic, and signal transduction pathways. Despite the current deficiency in fully understanding the mechanism of cancer action accurately and clearly, numerous genes and proteins that are causally involved in the initiation, progression, and metastasis of cancer have been identified. But due to the lack of space and the abundance of details on this complex topic, we have emphasized here more recent advances in our understanding of the principles implied tumor cell transformation, development, invasion, angiogenesis, and metastasis. Inhibition of angiogenesis is a significant strategy for the treatment of various solid tumors, that essentially depend on cutting or at least limiting the supply of blood to micro-regions of tumors, leading to pan-hypoxia and pan-necrosis inside solid tumor tissues. Researchers have continued to enhance the efficiency of anti-angiogenic drugs over the past two decades, to identify their potential in the drug interaction, and to discover reasonable interpretations for possible resistance to treatment. In this review, we have discussed an overview of cancer history and recent methods use in cancer therapy, focusing on anti-angiogenic inhibitors targeting angiogenesis formation. Further, this review has explained the molecular mechanism of action of these anti-angiogenic inhibitors in various tumor types and their limitations use. In addition, we described the synergistic mechanisms of immunotherapy and anti-angiogenic therapy and summarizes current clinical trials of these combinations. Many phase III trials found that combining immunotherapy and anti-angiogenic therapy improved survival. Therefore, targeting the source supply of cancer cells to grow and spread with new anti-angiogenic agents in combination with different conventional therapy is a novel method to reduce cancer progression. The aim of this paper is to overview the varying concepts of cancer focusing on mechanisms involved in tumor angiogenesis and provide an overview of the recent trends in anti-angiogenic strategies for cancer therapy.
Design, synthesis, characterization, docking studies of novel 4-phenyl acrylamide-1,3-thiazole derivatives as anti-inflammatory and anti-ulcer agents
Pallavi H M, Fares Hezam Al-Ostoot, Vivek Hamse Kameshwar, Hussein Khamees, Shaukath Ara Khanum
Journal of Molecular Structure, 2023
Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy frameworks and in-Silico drug-targeting PFKFB3 kinase of novel triazolequinoxalin derivative (TZQ) as a therapeutic Strategy against cancer
Nadeem Abad, Fares Hezam Al-Ostoot, Sajda Ashraf, Karim Chkirate, Majed S. Aljohani, Hussam Y. Alharbi, Shafeek Buhlak, Mohamed El Hafi, Luc Van Meervelt, Basheer M. Al-Maswari, El Mokhtar Essassi, Youssef Ramli
Heliyon, 2023
Exploring DSSC Efficiency Enhancement: SQI-F and SQI-Cl Dyes with Iodolyte Electrolytes and CDCA Optimization
Sultan A. Al-horaibi, Abdel-Basit Al-Odayni, Mohammed ALSaeedy, Fares Hezam Al-Ostoot, Adel Al-Salihy, Abdulmajeed Alezzy, Arwa Al-Adhreai, Faizaa A. Saif, Salama A. Yaseen, Waseem Sharaf Saeed
Molecules, 2023
Investigation on opto-electrical, structural and electro-chemical performance of PVA/ZnBi2MoO7 hybrid nanocomposites
H. M. Gayitri, Murad Q. A. Al-Gunaid, Fares H. AL-Ostoot, Nabil Al-Zaqri, Ahmed Boshaala, A. P. Gnanaprakash
Polymer Bulletin, 2023
Lepidium sativum Seed Extract-Mediated Synthesis of Zinc Oxide Nanoparticles: Structural, Morphological, Optical, Hemolysis, and Antibacterial Studies
Adnan Alnehia, Annas Al-Sharabi, Abdel-Basit Al-Odayni, A. H. Al-Hammadi, Fares H. AL-Ostoot, Waseem Sharaf Saeed, Naaser A. Y. Abduh, Ali Alrahlah
Bioinorganic Chemistry and Applications, 2023
Molecular docking, synthesis and antimicrobial evaluation of metal complexes with Schiff base
Zabiulla, Salma Kouser, Mahima Joythi, A. Bushra Begum, M.S. Asha, Fares Hezam Al-Ostoot, D.P. Lakshmeesha, Ramith Ramu, Shaukath Ara Khanum
Results in Chemistry, 2023
Enhancing photovoltaic efficiency with SQI-Br and SQI-I sensitizers: A comparative analysis
Sultan A. Al-horaibi, Abdel-Basit Al-Odayni, Mohammed ALSaeedy, Fares Hezam Al-Ostoot, Adel Al-Salihy, Jawaher Q. Ghaleb, Arwa Al-Adhreai, Faizaa A. Saif, Salama A. Yaseen, Waseem Sharf Saeed
Open Chemistry, 2023
In-silico docking, synthesis, structure analysis, DFT calculations, energy frameworks, and pharmacological intervention of [1,3,4]-thiadiazoles analogous as XO inhibitor and on multiple molecular inflammatory targets COX and LOX
Zabiulla, Fares Hezam Al-Ostoot, Hussien Ahmed Khamees, Nagendra Prasad MN, Farhan Zameer, Shaukath Ara Khanum
Journal of Molecular Structure, 2022
Synthesis, structure elucidation, Hirshfeld surface analysis, energy frameworks and DFT studies of novel ethyl 2-(5-methyl-2-oxopyridin-N-yl)acetate (OPA)
K.M. Chandini, Fares Hezam Al-Ostoot, T.N. Lohith, Murad Q.A. Al-Gunaid, Basheer M. Al-Maswari, M.A. Sridhar, Shaukath Ara Khanum
Journal of Molecular Structure, 2022
Probing optical efficiency and electrochemical behaviors of polycarbonate incorporating conducting PANI and halloysite nanotubes (HNTs) as core–shell nanofillers
Shashikala Badaga Shivanna, Murad Q. A. Al-Gunaid, Fares H. Al-Ostoot, Nabil Al-Zaqri, Ahmed Boshaala, Siddaramaiah, S. J. Anasuya
Polymer Bulletin, 2022
Characterization of Opto-Electrical, Electrochemical and Mechanical Behaviors of Flexible PVA/(PANI+La2CuO4)/LiClO4-PC Polymer Blend Electrolyte Films
Murad Q. A. Al-Gunaid, B. S. Shashikala, H. M. Gayitri, Khaled Alkanad, Nabil Al-Zaqri, Ahmed Boshaala, Fares H. Al-Ostoot
Macromolecular Research, 2022
Flaxseed oil ameliorates mercuric chloride-induced liver damage in rats
Tareq Nayef AlRamadneh, Naif AlQurashi, Mohd Sajjad Ahmad Khan, Saeed Mujahid Hashimi, Rajesh Javaraiah, Fares Hezam Al-Ostoot, Abed Alkarem Abu Alhaija
Journal of Trace Elements in Medicine and Biology, 2022
In-silico docking, synthesis, structure analysis, DFT calculations and energy frameworks of metal complexes to regress angiogenesis activity
Asha M. S, Zabiulla, Hussien Ahmed Khamees, Fares Hezam Al-Ostoot, Othbert Pinto, T.V. Gopichand, M. Shivappaa
Journal of Molecular Structure, 2022
Synthesis, characterization, DFT, docking studies and molecular dynamics of some 3-phenyl-5-furan isoxazole derivatives as anti-inflammatory and anti-ulcer agents
Pallavi H M, Fares Hezam Al-Ostoot, Hamse Kameshwar Vivek, Shaukath Ara Khanum
Journal of Molecular Structure, 2022
Experimental and computational studies on the synthesis and structural characterization of 2-(4-chlorophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
Hamdi Hamid Sallam, Yasser Hussien Issa Mohammed, Fares Hezam Al-Ostoot, P. Akhileshwari, M.A. Sridhar, Shaukath Ara Khanum
Journal of Molecular Structure, 2022
Design, docking, synthesis, and characterization of novel N'(2-phenoxyacetyl) nicotinohydrazide and N'(2-phenoxyacetyl)isonicotinohydrazide derivatives as anti-inflammatory and analgesic agents
Pallavi H M, Fares Hezam Al-Ostoot, Hamse Kameshwar Vivek, Shaukath Ara Khanum
Journal of Molecular Structure, 2022
Recent investigation on heterocycles with one nitrogen [piperidine, pyridine and quinoline], two nitrogen [1,3,4-thiadiazole and pyrazole] and three nitrogen [1,2,4-triazole]: a review
Zabiulla, Fares Hezam Al-Ostoot, Asha M. S, Mohammed Al-Ghorbani, Shaukath Ara Khanum
Journal of the Iranian Chemical Society, 2022
Synthesis, elucidation, DFT computations, Hirshfeld surface analysis and docking study of 6-chloro-3-[(4-fluoro-phenoxy)methyl][1, 2, 4]triazolo[4,3-b]pyridazine against fungi pathogen
Hamdi Hamid Sallam, Yasser Hussien Issa Mohammed, Fares Hezam Al-Ostoot, P. Akhileshwari, M. A. Sridhar, Ara Khanum Shaukath
Molecular Crystals and Liquid Crystals, 2022
Synthesis, crystal structure characterization, DFT calculations, Hirshfeld surface analysis and 3D energy frameworks of triazole pyridazine derivatives: Theoretical and experimental studies
Hamdi Hamid Sallam, Yasser Hussien Issa Mohammed, Fares Hezam Al-Ostoot, Sridhar M. A., Shaukath Ara Khanum
Journal of Molecular Structure, 2021
Synthesis, molecular structure, DFT studies, in silico docking and molecular dynamics simulations of 2,6 dimethoxychalcone derivatives as BRD4 inhibitors
Hussien Ahmed Khamees, Mahendra Madegowda, S Ananda, Y Sangappa, Fares Hezam Al-Ostoot, Nadeem Abad
Journal of Molecular Structure, 2021
Synthesis, crystal structure, Hirshfeld surface analysis, DFT calculations, 3D energy frameworks studies of Schiff base derivative 2,2′-((1Z,1′Z)-(1,2-phenylene bis(azanylylidene)) bis(methanylylidene)) diphenol
Chandini KM, Fares Hezam Al-Ostoot, Eman E. Shehata, Nuha Y. Elamin, Hela Ferjani, Sridhar MA, Lokanath NK
Journal of Molecular Structure, 2021
Modulation of DNA damage response by targeting ATM kinase using newly synthesized di-phenoxy acetamide (DPA) analogs to induce anti-neoplasia
Fares Hezam Al-Ostoot, Ankith Sherapura, Vikas H. Malojirao, Prabhu Thirusangu, Tahani I. Al-Muhimeed, Shaukath Ara Khanum, B. T. Prabhakar
Pharmacological Reports, 2021
Targeting HIF-1α by newly synthesized Indolephenoxyacetamide (IPA) analogs to induce anti-angiogenesis-mediated solid tumor suppression
Fares Hezam Al-Ostoot, Ankith Sherapura, Vigneshwaran V, Giridhara Basappa, Vivek H.K., Prabhakar B.T, Shaukath Ara Khanum
Pharmacological Reports, 2021
Crystal structure, Hirshfeld surface analysis and density functional theory study of 1-nonyl-3-phenylquinoxalin-2-one
Nadeem Abad, Karim Chkirate, Fares Hezam Al-Ostoot, Luc Van Meervelt, Sanae Lahmidi, Souad Ferfra, Youssef Ramli, El Mokhtar Essassi
Acta Crystallographica Section E Crystallographic Communications, 2021
Synthesis, structure analysis, DFT calculations, Hirshfeld surface studies, and energy frameworks of 6-Chloro-3-[(4-chloro-3-methylphenoxy)methyl][1,2,4]triazolo[4,3-b]pyridazine
Hamdi Hamid Sallam, Yasser Hussien Eissa Mohammed, Fares Hezam Al-Ostoot, M.A. Sridhar, Shaukath Ara Khanum
Journal of Molecular Structure, 2021
Recent investigations into synthesis and pharmacological activities of phenoxy acetamide and its derivatives (chalcone, indole and quinoline) as possible therapeutic candidates
Fares Hezam Al-Ostoot, Zabiulla, Salma Salah, Shaukath Ara Khanum
Journal of the Iranian Chemical Society, 2021
Crystal structure, Hirshfeld surface analysis and density functional theory study of benzyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydroquinoline-4-carboxylate
Younos Bouzian, Karim Chkirate, Joel T. Mague, Fares Hezam Al-Ostoot, Noureddine Hammou Ahabchane, El Mokhtar Essassi
Acta Crystallographica Section E Crystallographic Communications, 2021
Synthesis, crystal structure, DFT calculations, Hirshfeld surface analysis, energy frameworks, molecular dynamics and docking studies of novel isoxazolequinoxaline derivative (IZQ) as anti-cancer drug
Nadeem Abad, Hamdi Hamid Sallam, Fares Hezam Al-Ostoot, Hussien Ahmed Khamees, Sultan A. Al-horaibi, Sridhar M. A, Shaukath Ara Khanum, Mahendra Madegowda, Mohamed El Hafi, Joel T. Mague, El Mokhtar Essassi, Youssef Ramli
Journal of Molecular Structure, 2021
Synthesis, structural characterization, and DFT studies of anti-cancer drug N-(2-Aminophenyl)-2-(4-bromophenoxy)acetamide
S.N. Chandana, Fares Hezam Al-Ostoot, Yasser Hussein Eissa Mohammed, Tareq N. Al-Ramadneh, P. Akhileshwari, Shaukath Ara Khanum, M.A. Sridhar, B.N. Lakshminarayana
Heliyon, 2021
Molecular docking and synthesis of caffeic acid analogous and its anti-inflammatory, analgesic and ulcerogenic studies
Fares Hezam Al-Ostoot, Zabiulla, S. Grisha, Yasser Hussein Eissa Mohammed, H.K Vivek, Shaukath Ara Khanum
Bioorganic and Medicinal Chemistry Letters, 2021
Novel hemicyanine sensitizers based on benzothiazole-indole for dye-sensitized solar cells: Synthesis, optoelectrical characterization and efficiency of solar cell
Sultan A. Al-horaibi, Ali A. Alrabie, Mohammed T. Alghamdi, Fares H. Al-Ostoot, Eman M. Garoon, Anjali S. Rajbhoj
Journal of Molecular Structure, 2021
Tumor angiogenesis: Current challenges and therapeutic opportunities
Fares Hezam Al-Ostoot, Salma Salah, Hussien Ahmed Khamees, Shaukath Ara Khanum
Cancer Treatment and Research Communications, 2021
Synthesis, structural analysis, Hirshfeld surface analysis, DFT calculations, in vitro and docking study on antioxidant activity of 6-chloro-3-[(4-methylphenoxy) methyl] [1,2,4] triazolo[4,3-b]pyridazine
Hamdi Hamid Sallam, Yasser Hussien Eissa Mohammed, Geetha D. V., Fares Hezam Al-Ostoot, Sridhar M. A., Ara Khanum Shaukath
Molecular Crystals and Liquid Crystals, 2021
Design-based synthesis, molecular docking analysis of an anti-inflammatory drug, and geometrical optimization and interaction energy studies of an indole acetamide derivative
Fares Hezam Al-Ostoot, D.V. Geetha, Yasser Hussein Eissa Mohammed, P. Akhileshwari, M.A. Sridhar, Shaukath Ara Khanum
Journal of Molecular Structure, 2020
Optimized nano-perovskite lanthanum cuprate decorated PVA based solid polymer electrolyte
Murad Q.A. Al-Gunaid, Somesh T.E, Gayitri H.M, Fares Hezam Al-Ostoot, Siddaramaiah Basavarajaiah
Polymer Plastics Technology and Materials, 2020
Effect of o-difluoro and p-methyl substituents on the structure, optical properties and anti-inflammatory activity of phenoxy thiazole acetamide derivatives: Theoretical and experimental studies
Hussien Ahmed Khamees, Yasser Hussein Eissa Mohammed, Ananda S, Fares Hezam Al-Ostoot, Sangappa Y, Saad Alghamdi, Shaukath Ara Khanum, Mahendra Madegowda
Journal of Molecular Structure, 2020
Synthesis and crystallographic structure analysis of 4,4'-oxydianiline
G. Sharma, S. Anthal, D. V. Geetha, F. H. Al-Ostoot, M. Q. A. Al-Gunaid, S. A. Khanum, M. A. Sridhar, R. Kant
Rasayan Journal of Chemistry, 2019
Synthesis, in silico study and in vitro anti-microbial evaluation of some new N-benzoyl-N'-[2-(4-chloro-phenoxy)-acetyl]-hydrazides analogs
Fares Hezam Al-Ostoot, Yasser Hussein Eissa Mohammed, Zabiulla, Anup Kempaiah, Shaukath Ara Khanum
Journal of Applied Pharmaceutical Science, 2019
Molecular Structure, DFT, Vibrational Spectra with Fluorescence Effect, Hirshfeld Surface, Docking Simulation and Antioxidant Activity of Thiazole Derivative
Hussien A. Khamees, Yasser H. E. Mohammed, Ananda Swamynayaka, Fares H. Al‐Ostoot, Yusuf Sert, Saad Alghamdi, Shaukath A. Khanum, Mahendra Madegowda
Chemistryselect, 2019
Synthesis, crystal structure and 3D energy frameworks of ethyl 2-[5-nitro-2-oxopyridine-1(2H)-yl] acetate: Hirshfeld surface analysis and DFT calculations
Karthik Kumara, Fares Hezam Al-Ostoot, Yasser Hussein Eissa Mohammed, Shaukath Ara Khanum, Neratur Krishnappagowda Lokanath
Chemical Data Collections, 2019
Synthesis, Elucidation, Hirshfeld surface analysis, and DFT calculations of 4-chloro-N-[2-(2-1H-indol-3-yl-acetylamino)-phenyl]-benzamide
D.V. Geetha, Fares Hezam Al-Ostoot, Yasser Hussein Eissa Mohammed, M.A. Sridhar, Shaukath Ara Khanum, N.K. Lokanath
Journal of Molecular Structure, 2019
Synthesis, structure and molecular docking analysis of an anticancer drug of N-(2-aminophenyl)-2-(2-isopropylphenoxy) acetamide
Gopal Sharma, Sumati Anthal, D. V. Geetha, Fares Hezam Al-Ostoot, Yasser Hussein Eissa Mohammed, Shaukath Ara Khanum, M. A. Sridhar, Rajni Kant
Molecular Crystals and Liquid Crystals, 2018
Synthesis, crystal structure and Hirshfeld surfaces of 1-(3,4-dimethoxyphenyl)-3-(3-hydroxyphenyl) prop‑2-en-1-one
S. Madan Kumar, B.C. Manjunath, Fares Hezam Al-Ostoot, Mahima Jyothi, Mohammed Al-Ghorbani, Shaukath Ara Khanum, Avinash K. Kudva, N.K. Lokanath, K. Byrappa
Chemical Data Collections, 2018

RECENT SCHOLAR PUBLICATIONS

Synergistic impact of Core-Shell PANI/HNT Nanofillers in polycarbonate films: Engineering structural integrity, electrical permittivity, and thermal stability for advanced …
BS Shashikala, MQA Al-Gunaid, HM Gayitri, TH Keerthan, M Thanushree, ...
Inorganic Chemistry Communications, 115990 , 2025
2025
Ecofriendly synthesis and antibacterial assessment of silver and copper nanoparticles using Solanum incanum L. extracts
MAH Dhaif-Allah, A Qaid, MQA AL-Gunaid, WA Abdulrab, MG Al-asbahi, ...
Discover Chemistry 2 (1), 293 , 2025
2025
Citations: 3
Integrated design and evaluation of a pyridazine-based SYK inhibitor: Synthesis, structural analysis, crystal engineering, DFT, MDs, and in vitro anticancer validation
FH Al-Ostoot, P Akhileshwari, J Stondus, VH Kameshwar, MS Aljohani, ...
Journal of Molecular Liquids, 128790 , 2025
2025
Multi-scale investigation of PQ3-quinoxaline derivatives as selective COX-2 inhibitors: synthesis, structural analysis, DFT, MD simulations, and in silico/in vitro evaluation
FH Al-Ostoot, P Akhileshwari, VH Kameshwar, MS Aljohani, HY Alharbi, ...
Bioorganic Chemistry, 108987 , 2025
2025
New Marine-Inspired Oxadiazole Derivatives for Use Against Pancreatic Ductal Adenocarcinoma
C Pecoraro, D Carbone, FHM Al Ostoot, M Vahabi, G Lencioni, P Diana, ...
Marine Drugs 23 (8), 327 , 2025
2025
Citations: 1
Preparation of nano-graphene oxide and its reduction via a natural extract for its application as a photocatalyst in purifying water contaminated by malachite green dye
MQA AL-Gunaid, Fares H. Al-Ostoot, W Abd al-Rabb
Journal of the Faculty of Education 14 (1), 9-29 , 2025
2025
Optimizing and analysing the anti-cancer potential of novel Quinoline acetohydrazide (QAH): A comprehensive study involving synthesis, structural evaluation, 3D energy …
FH Al-Ostoot, P Akhileshwari, VH Kameshwar, MS Aljohani, HY Alharbi, ...
Journal of Molecular Structure 1325, 140840 , 2025
2025
Citations: 3
Molecular drug design, theoretical, experimental approaches and new framework of novel oxazol dihydroquinoxaline (ODQ): Efficient synthesis, crystallographic, computational …
N Abad, P Akhileshwari, MS Aljohani, HY Alharbi, S Saffour, JT Mague, ...
Journal of Molecular Structure 1321, 139762 , 2025
2025
Citations: 10
Exploring the anticancer properties of indole pyrimidine derivatives: Synthesis, structural insights, docking analysis, and in vitro evaluation
HM Pallavi, VH Kameshwar, FH Al-Ostoot, SA Khanum
Chemical Physics Impact 9, 100730 , 2024
2024
Citations: 3
An overview of cancer biology, pathophysiological development and it’s treatment modalities: current challenges of cancer anti-angiogenic therapy
FH Al-Ostoot, S Salah, SA Khanum
Cancer Investigation 42 (7), 559-604 , 2024
2024
Citations: 31
Structural and theoretical exploration of a multi-methoxy chalcone: Synthesis, quantum theory, electrostatics, molecular packing, DFT analysis, and in-silico anti-cancer evaluation
FH Al-Ostoot, P Akhileshwari, VH Kameshwar, DV Geetha, MS Aljohani, ...
Heliyon 10 (13) , 2024
2024
Citations: 14
Enhancing photovoltaic efficiency with SQI-Br and SQI-I sensitizers: A comparative analysis
SA Al-horaibi, AB Al-Odayni, M ALSaeedy, FH Al-Ostoot, A Al-Salihy, ...
Open Chemistry 21 (1), 20230168 , 2023
2023
Citations: 8
Design, synthesis, characterization, docking studies of novel 4-phenyl acrylamide-1, 3-thiazole derivatives as anti-inflammatory and anti-ulcer agents
HM Pallavi, FH Al-Ostoot, VH Kameshwar, H Khamees, SA Khanum
Journal of Molecular Structure 1292, 136126 , 2023
2023
Citations: 29
Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy frameworks and in-Silico drug-targeting PFKFB3 kinase of novel triazolequinoxalin derivative (TZQ) as a …
N Abad, FH Al-Ostoot, S Ashraf, K Chkirate, MS Aljohani, HY Alharbi, ...
Heliyon 9 (11) , 2023
2023
Citations: 18
Exploring DSSC efficiency enhancement: SQI-F and SQI-Cl dyes with iodolyte electrolytes and CDCA optimization
SA Al-Horaibi, AB Al-Odayni, M ALSaeedy, FH Al-Ostoot, A Al-Salihy, ...
Molecules 28 (20), 7129 , 2023
2023
Citations: 14
Photo-Electrical tandem of modulated polyvinyl alcohol based plasticized solid polymer electrolyte nanocomposite films: Effect of propylene carbonate contents
MQA Al-Gunaid, WA Ahmed, FH Al-Ostoot
Thamar University Journal of Natural & Applied Sciences 8 (1), 39-55 , 2023
2023
Citations: 2
Magnesium bismuth ferrite nitrogen-doped carbon nanomagnetic perovskite: synthesis and characterization as a high-performance electrode in a supercapacitor for energy storage
BM Al-Maswari, N Al-Zaqri, K Alkanad, FH AlOstoot, A Boshaala, ...
ACS omega 8 (18), 16145-16157 , 2023
2023
Citations: 50
Structural, Hirshfeld surface and three-dimensional interaction-energy studies of 1, 3, 5-triethyl 2-amino-3, 5-dicyano-4, 6-bis (4-fluorophenyl) cyclohex-1-ene-1, 3, 5 …
SN Chandana, DP Ganesha, NR Sreenatha, AS Harisha, ...
Structure Reports 79 (5), 446-450 , 2023
2023
Heliyon 9, e21312
N Abad, FH Al-Ostoot, S Ashraf, K Karim, MS Aljohani, HY Alharbi, ...
CSD , 2023
2023
Citations: 2
Lepidium sativum Seed Extract‐Mediated Synthesis of Zinc Oxide Nanoparticles: Structural, Morphological, Optical, Hemolysis, and Antibacterial Studies
A Alnehia, A Al-Sharabi, AB Al-Odayni, AH Al-Hammadi, FH Al-Ostoot, ...
Bioinorganic Chemistry and Applications 2023 (1), 4166128 , 2023
2023
Citations: 28

MOST CITED SCHOLAR PUBLICATIONS

Tumor angiogenesis: Current challenges and therapeutic opportunities
FH Al-Ostoot, S Salah, HA Khamees, SA Khanum
Cancer treatment and research communications 28, 100422 , 2021
2021
Citations: 312
Synthesis, crystal structure, DFT calculations, Hirshfeld surface analysis, energy frameworks, molecular dynamics and docking studies of novel isoxazolequinoxaline derivative …
N Abad, HH Sallam, FH Al-Ostoot, HA Khamees, SA Al-horaibi, ...
Journal of Molecular Structure 1232, 130004 , 2021
2021
Citations: 86
Recent investigations into synthesis and pharmacological activities of phenoxy acetamide and its derivatives (chalcone, indole and quinoline) as possible therapeutic candidates
FH Al-Ostoot, Zabiulla, S Salah, SA Khanum
Journal of the Iranian Chemical Society 18 (8), 1839-1875 , 2021
2021
Citations: 57
Design-based synthesis, molecular docking analysis of an anti-inflammatory drug, and geometrical optimization and interaction energy studies of an indole acetamide derivative
FH Al-Ostoot, DV Geetha, YHE Mohammed, P Akhileshwari, MA Sridhar, ...
Journal of Molecular Structure 1202, 127244 , 2020
2020
Citations: 52
Molecular Structure, DFT, Vibrational Spectra with Fluorescence Effect, Hirshfeld Surface, Docking Simulation and Antioxidant Activity of Thiazole Derivative
MM Hussien A. Khamees,[a] Yasser H. E. Mohammed,[b, c] Ananda Swamynayaka,[a ...
Chemistry Select 4 (15), 4544 –4558 , 2019
2019
Citations: 51
Magnesium bismuth ferrite nitrogen-doped carbon nanomagnetic perovskite: synthesis and characterization as a high-performance electrode in a supercapacitor for energy storage
BM Al-Maswari, N Al-Zaqri, K Alkanad, FH AlOstoot, A Boshaala, ...
ACS omega 8 (18), 16145-16157 , 2023
2023
Citations: 50
Effect of o-difluoro and p-methyl substituents on the structure, optical properties and anti-inflammatory activity of phenoxy thiazole acetamide derivatives: theoretical and …
HA Khamees, YHE Mohammed, FH Al-Ostoot, S Alghamdi, SA Khanum, ...
Journal of Molecular Structure 1199, 127024 , 2020
2020
Citations: 46
Synthesis, crystal structure, Hirshfeld surface analysis, DFT calculations, 3D energy frameworks studies of Schiff base derivative 2, 2′-((1Z, 1′ Z)-(1, 2-phenylene bis …
KM Chandini, FH Al-Ostoot, EE Shehata, NY Elamin, H Ferjani, ...
Journal of Molecular Structure 1244, 130910 , 2021
2021
Citations: 42
Synthesis, crystal structure and 3D energy frameworks of ethyl 2-[5-nitro-2-oxopyridine-1 (2H)-yl] acetate: Hirshfeld surface analysis and DFT calculations
K Kumara, FH Al-Ostoot, YHE Mohammed, SA Khanum, NK Lokanath
Chemical Data Collections 20, 100195 , 2019
2019
Citations: 41
Recent investigation on heterocycles with one nitrogen [piperidine, pyridine and quinoline], two nitrogen [1, 3, 4-thiadiazole and pyrazole] and three nitrogen [1, 2, 4 …
Zabiulla, FH Al-Ostoot, AM S, M Al-Ghorbani, SA Khanum
Journal of the Iranian Chemical Society 19 (1), 23-54 , 2022
2022
Citations: 40
Synthesis, characterization, DFT, docking studies and molecular dynamics of some 3-phenyl-5-furan isoxazole derivatives as anti-inflammatory and anti-ulcer agents
HM Pallavi, FH Al-Ostoot, HK Vivek, SA Khanum
Journal of Molecular Structure 1250, 131812 , 2022
2022
Citations: 35
Synthesis, Elucidation, Hirshfeld surface analysis, and DFT calculations of 4-chloro-N-[2-(2-1H-indol-3-yl-acetylamino)-phenyl]-benzamide
DV Geetha, FH Al-Ostoot, YHE Mohammed, MA Sridhar, SA Khanum, ...
Journal of Molecular Structure 1178, 384-393 , 2019
2019
Citations: 34
Design, docking, synthesis, and characterization of novel N'(2-phenoxyacetyl) nicotinohydrazide and N'(2-phenoxyacetyl) isonicotinohydrazide derivatives as anti-inflammatory …
HM Pallavi, FH Al-Ostoot, HK Vivek, SA Khanum
Journal of Molecular Structure 1247, 131404 , 2022
2022
Citations: 32
Targeting HIF-1α by newly synthesized Indolephenoxyacetamide (IPA) analogs to induce anti-angiogenesis-mediated solid tumor suppression
FH Al-Ostoot, A Sherapura, V Vigneshwaran, G Basappa, HK Vivek, ...
Pharmacological Reports, 1-16 , 2021
2021
Citations: 32
An overview of cancer biology, pathophysiological development and it’s treatment modalities: current challenges of cancer anti-angiogenic therapy
FH Al-Ostoot, S Salah, SA Khanum
Cancer Investigation 42 (7), 559-604 , 2024
2024
Citations: 31
Molecular docking and synthesis of caffeic acid analogous and its anti-inflammatory, analgesic and ulcerogenic studies
FH Al-Ostoot, S Grisha, YHE Mohammed, HK Vivek, SA Khanum
Bioorganic & Medicinal Chemistry Letters 33, 127743 , 2021
2021
Citations: 30
Design, synthesis, characterization, docking studies of novel 4-phenyl acrylamide-1, 3-thiazole derivatives as anti-inflammatory and anti-ulcer agents
HM Pallavi, FH Al-Ostoot, VH Kameshwar, H Khamees, SA Khanum
Journal of Molecular Structure 1292, 136126 , 2023
2023
Citations: 29
Molecular docking, synthesis and antimicrobial evaluation of metal complexes with Schiff base
S Kouser, M Joythi, AB Begum, MS Asha, FH Al-Ostoot, DP Lakshmeesha, ...
Results in Chemistry 5, 100650 , 2023
2023
Citations: 29
Lepidium sativum Seed Extract‐Mediated Synthesis of Zinc Oxide Nanoparticles: Structural, Morphological, Optical, Hemolysis, and Antibacterial Studies
A Alnehia, A Al-Sharabi, AB Al-Odayni, AH Al-Hammadi, FH Al-Ostoot, ...
Bioinorganic Chemistry and Applications 2023 (1), 4166128 , 2023
2023
Citations: 28
Novel hemicyanine sensitizers based on benzothiazole-indole for dye-sensitized solar cells: Synthesis, optoelectrical characterization and efficiency of solar cell
SA Al-horaibi, AA Alrabie, MT Alghamdi, FH Al-Ostoot, EM Garoon, ...
Journal of Molecular Structure 1224, 128836 , 2021
2021
Citations: 27

Fares Hezam Al-Ostoot

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MOST CITED SCHOLAR PUBLICATIONS