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In Silico Pharmacology|September 2, 2025
Computational elucidation of Plasmodium falciparum enoyl-ACP reductase inhibition by Salacia debilis compounds: adaptive ligand binding drives antimalarial activityPrince Manu, Muntawakilu Padiga Seidu, Alice Adomako, et al.
In Silico Pharmacology|September 2, 2025
Salinity-induced capsaicin biosynthesis in Capsicum annuum L.: mechanistic and molecular insights into its potential role in prostate adenocarcinomaAmantika Singh, Krishna Kumar Choudhary
In Silico Pharmacology|August 5, 2021
Newly designed compounds from scaffolds of known actives as inhibitors of survivin: computational analysis from the perspective of fragment-based drug designOlusola Olalekan Elekofehinti, Opeyemi Iwaloye, Femi Olawale, et al.
In Silico Pharmacology|August 2, 2021
In-silico study of peptide-protein interaction of antimicrobial peptides potentially targeting SARS and SARS-CoV-2 nucleocapsid proteinRitu Bansal, Sanika Mohagaonkar, Anamitra Sen, et al.
In Silico Pharmacology|September 5, 2022
Formulation and in-silico study of meclizine ointment as anti-eczemaWafa M Al-Madhagi, Abdulkarim K Y Alzomor, Nor Hisam Zamakshshari, et al.
In Silico Pharmacology|March 8, 2021
Atezolizumab and granzyme B as immunotoxin against PD-L1 antigen; an insilico studyFateme Sefid, Zahra Payandeh, Ghasem Azamirad, et al.
In Silico Pharmacology|September 8, 2022
Role of lupeol in chemosensitizing therapy-resistant prostate cancer cells by targeting MYC, β-catenin and c-FLIP: in silico and in vitro studiesSantosh Kumar Maurya, Homa Fatma, Akhilesh Kumar Maurya, et al.
In Silico Pharmacology|January 24, 2025
Multilayered screening for multi-targeted anti-Alzheimer's and anti-Parkinson's agents through structure-based pharmacophore modelling, MCDM, docking, molecular dynamics and DFT: a case study of HDAC4 inhibitorsNikita Chhabra, Balaji Wamanrao Matore, Nisha Lakra, et al.
In Silico Pharmacology|January 9, 2025
In silico design and computational screening of berberine derivatives for potential antidiabetic activity through allosteric activation of the AMPK pathwayBibhuti Bhusan Kakoti, James H Zothantluanga, Kangkan Deka, et al.
In Silico Pharmacology|January 6, 2025
Structure similarity based screening coupled to integrated structural biochemistry approach for exploring the high affinity inhibitors against histone deacetylase (HDAC)-6Shabir Ahmad Ganai, Suma Mohan
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