Search Results - "Perryman AL"

Structure-based pharmacophore modeling, high-throughput screening, and molecular dynamics identify a novel DrugBank-derived HIV-1 protease inhibitor.

Authors: Khazaal Nazal, Ali Sultan Rashid Alrashedi, Amjed Majid Risan Al-Iessa, Lamia Abdultef et al.

Source: PLoS ONE. 6/21/2026, Vol. 21 Issue 6, p1-20. 20p.

Mutations in the transcriptional regulator MAB_2885 confer tedizolid and linezolid resistance through the MmpS-MmpL efflux pumps MAB_2302-MAB_2303 in Mycobacterium abscessus.

Authors: Zhang, Huiyun Wang, Shiyong Zhang, Yu et al.

Source: PLoS Pathogens. 5/30/2025, Vol. 21 Issue 5, p1-18. 18p.

Uralenol, Glycyrol, and Abyssinone II as potent inhibitors of fibroblast growth factor receptor 2 from anti-cancer plants: A deep learning and molecular dynamics approach.

Authors: Hossain, Alomgir Hossan, Md. Sanowar Prodhan, Md. Shahanur et al.

Source: PLoS ONE. 1/30/2026, Vol. 21 Issue 1, p1-23. 23p.

Preparation and physicochemical characterization of paramethoxycinnamic acid cocrystals using in silico method.

Authors: Yuliati, Ninis Setyawan, Dwi Sari, Retno

Source: Tropical Journal of Pharmaceutical Research. Dec2025, Vol. 24 Issue 12, p1493-1500. 8p.

A spatial-temporal graph attention network for protein–ligand binding affinity prediction based on molecular geometry: A spatial-temporal graph attention network for protein–ligand binding affinity prediction based...: G. Li et al.

Authors: Li, Gaili Yuan, Yongna Zhang, Ruisheng

Source: Multimedia Systems; Feb2025, Vol. 31 Issue 1, p1-22, 22p

Identification of natural antiviral drug candidates against Tilapia Lake Virus: Computational drug design approaches.

Authors: Sumon, Md Afsar Ahmed Asseri, Amer H. Molla, Mohammad Habibur Rahman et al.

Source: PLoS ONE. 11/8/2023, Vol. 18 Issue 11, p1-22. 22p.

The Association Between Dietary Flavonoids and Systemic Inflammation: A Cross-Sectional Analysis and Mechanistic Exploration.

Authors: Pu, Haomou Wang, Hansheng Gao, Jinfeng et al.

Source: Natural Product Communications. Mar2026, Vol. 21 Issue 3, p1-20. 20p.

Computational and biochemical evidence reveal cuminaldehyde as a potent tyrosinase inhibitor.

Authors: Baruah, Taranga Jyoti Dutta, Sthiti Porna Das, Partha Pratim et al.

Source: Discover Chemistry. Dec2025, Vol. 2 Issue 1, p1-20. 20p.

Potential mechanism of Qinggong Shoutao pill alleviating age-associated memory decline based on integration strategy.

Authors: Pan, Guiyun Chai, Lijuan Chen, Rui et al.

Source: Pharmaceutical Biology. Dec2024, Vol. 62 Issue 1, p105-119. 15p.

Structure-based virtual screening workflow to identify antivirals targeting HIV-1 capsid.

Authors: Sun, Qinfang Biswas, Avik Vijayan, R. S. K. et al.

Source: Journal of Computer-Aided Molecular Design; Mar2022, Vol. 36 Issue 3, p193-203, 11p

Advances in cyclotide research: bioactivity to cyclotide-based therapeutics.

Authors: Grover A Singh S Sindhu S et al.

Source: Molecular diversity [Mol Divers] 2025 Dec; Vol. 29 (6), pp. 5101-5128. Date of Electronic Publication: 2025 Jan 25.

Publication Type: Journal Article; Review

Journal Info: Publisher: ESCOM Science Publishers Country of Publication: Netherlands NLM ID: 9516534 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-501X (Electronic) Linking ISSN: 13811991 NLM ISO Abbreviation: Mol Divers Subsets: MEDLINE

Impact of the pentose phosphate pathway on metabolism and pathogenesis of Staphylococcus aureus.

Authors: Kim, Jisun Kim, Gyu-Lee Norambuena, Javiera et al.

Source: PLoS Pathogens. 7/13/2023, Vol. 19 Issue 7, p1-22. 22p.

Copper ions inhibit pentose phosphate pathway function in Staphylococcus aureus.

Authors: Norambuena, Javiera Al-Tameemi, Hassan Bovermann, Hannah et al.

Source: PLoS Pathogens. 5/26/2023, Vol. 18 Issue 5, p1-28. 28p.

A water solubility prediction algorithm based on the StackBoost model.

Authors: Pan, Bin Hou, Xiaoyu Zhang, Mingxin et al.

Source: PLoS ONE. 8/29/2025, Vol. 20 Issue 8, p1-18. 18p.

Study of Pineapple Bioactive Compounds Targeting Aldose Reductase: A Natural Intervention for Diabetes Mellitus Pathologies.

Authors: Pandey, Anand Kumar Verma, Shalja Singh, Rupanjali

Source: Molecular Biotechnology. Jan2026, Vol. 68 Issue 1, p323-334. 12p.

An overview of the SAMPL8 host–guest binding challenge.

Authors: Amezcua, Martin Setiadi, Jeffry Ge, Yunhui et al.

Source: Journal of Computer-Aided Molecular Design; Oct2022, Vol. 36 Issue 10, p707-734, 28p

The role and mechanism of quercetin in improving late-onset hypogonadism through network analysis and experimental validation.

Authors: Wu X Zhao H Huang X et al.

Source: Naunyn-Schmiedeberg's archives of pharmacology [Naunyn Schmiedebergs Arch Pharmacol] 2025 Sep; Vol. 398 (9), pp. 12031-12046. Date of Electronic Publication: 2025 Mar 17.

Publication Type: Journal Article

Journal Info: Publisher: Springer Verlag Country of Publication: Germany NLM ID: 0326264 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1432-1912 (Electronic) Linking ISSN: 00281298 NLM ISO Abbreviation: Naunyn Schmiedebergs Arch Pharmacol Subsets: MEDLINE

CAL-B promoted amidation of (S)-ibuprofen: Mechanistic study and in vitro versus in silico evaluation of the anti-inflammatory activity.

Authors: Merabet-Khelassi, Mounia Kilani-Morakchi, Samira Sifi, Karima et al.

Source: Biocatalysis & Biotransformation. Jun2025, Vol. 43 Issue 3, p301-318. 18p.

DNA repair and the contribution to chemotherapy resistance.

Authors: Nesic, Ksenija Parker, Phoebe Swisher, Elizabeth M. et al.

Source: Genome Medicine. 5/26/2025, Vol. 17 Issue 1, p1-30. 30p.

In-silico identification and exploration of small molecule coumarin-1,2,3-triazole hybrids as potential EGFR inhibitors for targeting lung cancer.

Authors: Kumar S Ali I Abbas F et al.

Source: Molecular diversity [Mol Divers] 2024 Dec; Vol. 28 (6), pp. 4301-4324. Date of Electronic Publication: 2024 Mar 12.

Publication Type: Journal Article

Journal Info: Publisher: ESCOM Science Publishers Country of Publication: Netherlands NLM ID: 9516534 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-501X (Electronic) Linking ISSN: 13811991 NLM ISO Abbreviation: Mol Divers Subsets: MEDLINE