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ArticlesPeer ReviewedFull Text
Identification of SIRT3 modulating compounds in deep-sea fungi metabolites: Insights from molecular docking and MD simulations
Author / Creator:Alanzi, Abdullah R. ; Alhaidhal, Bayan Abdullah ; Aloatibi, Raghad Mohammad
Publisher:United States: Public Library of Science
Journal title:PloS one, 2025-05, Vol.20 (5), p.e0323107
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Discovery of ROCK2 inhibitors through computational screening of ZINC database: Integrating pharmacophore modeling, molecular docking, and MD simulations
Author / Creator:Alanzi, Abdullah R. ; Shahat, Abdelaaty A. ; Alhaidhal, Bayan Abdullah ; Aloatibi, Raghad Mohammad
Publisher:United States: Public Library of Science
Journal title:PloS one, 2025-05, Vol.20 (5), p.e0323781
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Insilico exploration C. koseri ATP synthase inhibitors by pharmacophore-based virtual screening, molecular docking and MD simulation
Author / Creator:Alanzi, Abdullah R. ; A. Z., Alanazi ; Alhazzani, Khalid
Publisher:United States: Public Library of Science
Journal title:PloS one, 2024-08, Vol.19 (8), p.e0308251
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Insilico discovery of novel Phosphodiesterase 4 (PDE4) inhibitors for the treatment of psoriasis: Insights from computer aided drug design approaches
Author / Creator:Alanzi, Abdullah R. ; Alsalhi, Mohammed S. ; Mothana, Ramzi A. ; Alqahtani, Jawaher H. ; Alqahtani, Moneerah J.
Publisher:United States: Public Library of Science
Journal title:PloS one, 2024-11, Vol.19 (11), p.e0305934
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Integration of pharmacophore-based virtual screening, molecular docking, ADMET analysis, and MD simulation for targeting EGFR: A comprehensive drug discovery study using commercial databases
Author / Creator:Alanzi, Abdullah R. ; Moussa, Ashaimaa Y. ; Alsalhi, Mohammed S. ; Nawaz, Tayyab ; Ali, Ijaz
Publisher:United States: Public Library of Science
Journal title:PloS one, 2024-12, Vol.19 (12), p.e0311527
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Identification of echinoderm metabolites as potential inhibitors targeting wild-type and mutant forms of Escherichia coli RNA polymerase (RpoB) for tuberculosis treatment
Author / Creator:Alsulais, Fatimah M. ; Alhaidhal, Bayan A. ; Mothana, Ramzi A. ; Alanzi, Abdullah R.
Publisher:United States: Public Library of Science
Journal title:PloS one, 2024-08, Vol.19 (8), p.e0304587
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In silico exploration of deep-sea fungal metabolites as inhibitor of Ebola and Marburg VP35 and VP40
Author / Creator:Alanzi, Abdullah R. ; Alajmi, Mohammed F. ; Al-Dosari, Mohammed S. ; Parvez, Mohammad K. ; Alqahtani, Moneerah J.
Publisher:United States: Public Library of Science
Journal title:PloS one, 2024-07, Vol.19 (7), p.e0307579
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Computational investigation of natural compounds as inhibitors against macrolide-resistant protein using virtual screening, molecular docking and MD simulations
Author / Creator:Alanzi, Abdullah R. ; Alhaidhal, Bayan Abdullah ; Aloatibi, Raghad Mohammad
Publisher:London: Nature Publishing Group UK
Journal title:Scientific reports, 2025-05, Vol.15 (1), p.16385-27, Article 16385
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Binding selectivity analysis of AURKs inhibitors through molecular dynamics simulation studies
Author / Creator:Alharthy, Rima D. ; Fatima, Ghulam ; Yousaf, Numan ; Iqbal, Muhammad Shaheen ; Sattar, Sadia ; Alanzi, Abdullah R. ; Ali, Ijaz ; Muddassar, Muhammad
Publisher:United States: Public Library of Science
Journal title:PloS one, 2023-12, Vol.18 (12), p.e0295741-e0295741
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Computational Evaluation of Marine Demospongiae Sponges Metabolites Activity as Mycolic Acid Biosynthesis Inhibitors in Mycobacterium tuberculosis
Author / Creator:Alanzi, Abdullah R.
Publisher:India: Wolters Kluwer - Medknow
Journal title:International journal of mycobacteriology, 2023-07, Vol.12 (3), p.332-344
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Identification of novel inhibitors targeting Mycobacterium abscessus InhA through virtual screening, docking, and molecular dynamic simulations
Author / Creator:Abbas, Munawar ; Alanzi, Abdullah R. ; Sahibzada, Kashif Iqbal ; Nawaz, Mariyam ; Fatima, Ghulam ; Wei, Dong-Qing
Publisher:London: Nature Publishing Group UK
Journal title:Scientific reports, 2025-04, Vol.15 (1), p.12795-16, Article 12795
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In silico discovery of druggable targets in Citrobacter koseri using echinoderm metabolites and molecular dynamics simulation
Author / Creator:Alhaidhal, Bayan A. ; Alsulais, Fatimah M. ; Mothana, Ramzi A. ; Alanzi, Abdullah R.
Publisher:London: Nature Publishing Group UK
Journal title:Scientific reports, 2024-11, Vol.14 (1), p.26776-15, Article 26776
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ArticlesPeer ReviewedFull Text
Spilanthes filicaulis (Schumach. & Thonn.) C.D. Adams leaves protects against streptozotocin-induced diabetic nephropathy
Author / Creator:Ojo, Oluwafemi Adeleke ; Ogunlakin, Akingbolabo Daniel ; Akintayo, Christopher Oloruntoba ; Olukiran, Olaoluwa Sesan ; Adetunji, Juliana Bunmi ; Ajayi-Odoko, Omolola Adenike ; Ogwa, Theophilus Oghenenyoreme ; Molehin, Olorunfemi Raphael ; Ojo, Omolara Olajumoke ; Mothana, Ramzi A. ; Alanzi, Abdullah R.
Publisher:United States: Public Library of Science
Journal title:PloS one, 2024-04, Vol.19 (4), p.e0301992-e0301992
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In silico exploration of PD-L1 binding compounds: Structure-based virtual screening, molecular docking, and MD simulation
Author / Creator:Alanzi, Abdullah ; Moussa, Ashaimaa Y. ; Mothana, Ramzi A. ; Abbas, Munawar ; Ali, Ijaz
Publisher:United States: Public Library of Science
Journal title:PloS one, 2024-08, Vol.19 (8), p.e0306804
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Inhibition of hepatitis B virus activities by Rhazya stricta ‑derived acacetin and acetyl‑β‑carboline
Author / Creator:Parvez, Mohammad ; Alhowiriny, Tawfeq ; Al‑Dosari, Mohammed ; Amina, Musarat ; Rehman, Md Tabish ; Al‑Yousef, Hanan ; Alanzi, Abdullah ; Alajmi, Mohammed
Publisher:Athens: Spandidos Publications UK Ltd
Journal title:Experimental and therapeutic medicine, 2023-07, Vol.26 (1), Article 327
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Antimicrobial Activity of Dihydroisocoumarin Isolated from Wadi Lajab Sediment-Derived Fungus Penicillium chrysogenum: In Vitro and In Silico Study
Author / Creator:Orfali, Raha ; Perveen, Shagufta ; AlAjmI, Mohamed Fahad ; Ghaffar, Safina ; Rehman, Md Tabish ; AlanzI, Abdullah R. ; Gamea, Saja Bane ; Essa Khwayri, Mona
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2022-06, Vol.27 (11), p.3630
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ArticlesPeer ReviewedFull Text
Antispasmodic Effect of Alstonia boonei De Wild. and Its Constituents: Ex Vivo and In Silico Approaches
Author / Creator:Akinmurele, Opeyemi Josephine ; Sonibare, Mubo Adeola ; Elujoba, Anthony A. ; Ogunlakin, Akingbolabo Daniel ; Yeye, Oloruntoba Emmanuel ; Gyebi, Gideon Ampoma ; Ojo, Oluwafemi Adeleke ; Alanzi, Abdullah R.
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2023-10, Vol.28 (20), p.7069
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Global and pathway-specific transcriptional regulations of pactamycin biosynthesis in Streptomyces pactum
Author / Creator:Lu, Wanli ; Alanzi, Abdullah R. ; Abugrain, Mostafa E. ; Ito, Takuya ; Mahmud, Taifo
Publisher:Berlin/Heidelberg: Springer Berlin Heidelberg
Journal title:Applied microbiology and biotechnology, 2018-12, Vol.102 (24), p.10589-10601
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Therapeutic Study of Cinnamic Acid Derivative for Oxidative Stress Ablation: The Computational and Experimental Answers
Author / Creator:Ojo, Oluwafemi Adeleke ; Ogunlakin, Akingbolabo Daniel ; Maimako, Rotdelmwa Filibis ; Gyebi, Gideon Ampoma ; Olowosoke, Christopher Busayo ; Taiwo, Odunayo Anthonia ; Elebiyo, Tobiloba Christiana ; Adeniyi, David ; David, Bolaji ; Iyobhebhe, Matthew ; Adetunji, Juliana Bunmi ; Ayokunle, Damilare IyinKristi ; Ojo, Adebola Busola ; Mothana, Ramzi A. ; Alanzi, Abdullah R.
Publisher:Basel: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2023-11, Vol.28 (21), p.7425
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Computational modeling study of IL-15-NGR peptide fusion protein: a targeted therapeutics for hepatocellular carcinoma
Author / Creator:Fatima, Tehreem ; Mubasher, Mian Muhammad ; Rehman, Hafiz Muhammad ; Niyazi, Sakina ; Alanzi, Abdullah R. ; Kalsoom, Maria ; Khalid, Sania ; Bashir, Hamid
Publisher:Berlin/Heidelberg: Springer Berlin Heidelberg
Journal title:AMB Express, 2024-08, Vol.14 (1), p.91-15, Article 91
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Showing 1 to 20 of 48 results

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Identification of SIRT3 modulating compounds in deep-sea fungi metabolites: Insights from molecular docking and MD simulations

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Discovery of ROCK2 inhibitors through computational screening of ZINC database: Integrating pharmacophore modeling, molecular docking, and MD simulations

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Insilico exploration C. koseri ATP synthase inhibitors by pharmacophore-based virtual screening, molecular docking and MD simulation

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Insilico discovery of novel Phosphodiesterase 4 (PDE4) inhibitors for the treatment of psoriasis: Insights from computer aided drug design approaches

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Integration of pharmacophore-based virtual screening, molecular docking, ADMET analysis, and MD simulation for targeting EGFR: A comprehensive drug discovery study using commercial databases

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Identification of echinoderm metabolites as potential inhibitors targeting wild-type and mutant forms of Escherichia coli RNA polymerase (RpoB) for tuberculosis treatment

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In silico exploration of deep-sea fungal metabolites as inhibitor of Ebola and Marburg VP35 and VP40

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Computational investigation of natural compounds as inhibitors against macrolide-resistant protein using virtual screening, molecular docking and MD simulations

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Binding selectivity analysis of AURKs inhibitors through molecular dynamics simulation studies

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Computational Evaluation of Marine Demospongiae Sponges Metabolites Activity as Mycolic Acid Biosynthesis Inhibitors in Mycobacterium tuberculosis

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Identification of novel inhibitors targeting Mycobacterium abscessus InhA through virtual screening, docking, and molecular dynamic simulations

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In silico discovery of druggable targets in Citrobacter koseri using echinoderm metabolites and molecular dynamics simulation

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Spilanthes filicaulis (Schumach. & Thonn.) C.D. Adams leaves protects against streptozotocin-induced diabetic nephropathy

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In silico exploration of PD-L1 binding compounds: Structure-based virtual screening, molecular docking, and MD simulation

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Inhibition of hepatitis B virus activities by Rhazya stricta ‑derived acacetin and acetyl‑β‑carboline

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Antimicrobial Activity of Dihydroisocoumarin Isolated from Wadi Lajab Sediment-Derived Fungus Penicillium chrysogenum: In Vitro and In Silico Study

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Antispasmodic Effect of Alstonia boonei De Wild. and Its Constituents: Ex Vivo and In Silico Approaches

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Global and pathway-specific transcriptional regulations of pactamycin biosynthesis in Streptomyces pactum

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Therapeutic Study of Cinnamic Acid Derivative for Oxidative Stress Ablation: The Computational and Experimental Answers

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Computational modeling study of IL-15-NGR peptide fusion protein: a targeted therapeutics for hepatocellular carcinoma

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