Design of novel amyloid β aggregation inhibitors using QSAR, pharmacophore modeling, molecular docking and ADME prediction Lilly AswathyRadhakrishnan S. JishaIndira G. Shibi Original Research 15 June 2018 Article: 12
Identification of potential drug targets and inhibitor of the pathogenic bacteria Shigella flexneri 2a through the subtractive genomic approach Arafat Rahman OanyMamun MiaAkinori Hirashima Original Research 04 June 2018 Article: 11
Frangulosid as a novel hepatitis B virus DNA polymerase inhibitor: a virtual screening study Mokhtar NosratiZahra ShakeranZainab Shakeran Original Research 17 May 2018 Article: 10
High throughput screening against pantothenate synthetase identifies amide inhibitors against Mycobacterium tuberculosis and Staphylococcus aureus Sayantan PradhanChittaranjan Sinha Original Research 08 May 2018 Article: 9
Taxifolin as dual inhibitor of Mtb DNA gyrase and isoleucyl-tRNA synthetase: in silico molecular docking, dynamics simulation and in vitro assays Charles Kozhikkadan DavisK. NaslaG. K. Rajanikant Original Research 09 April 2018 Article: 8
lncRNA-based study of epigenetic regulations in diabetic peripheral neuropathy Muhamad FachrulDidik H. UtomoArli A. Parikesit Original Research 05 April 2018 Article: 7
Molecular docking and dynamics of Nickel-Schiff base complexes for inhibiting β-lactamase of Mycobacterium tuberculosis Md. JunaidMd. Jahangir AlamM. Obayed Ullah Original Research 28 March 2018 Article: 6
Computer aided drug design based on 3D-QSAR and molecular docking studies of 5-(1H-indol-5-yl)-1,3,4-thiadiazol-2-amine derivatives as PIM2 inhibitors: a proposal to chemists Adnane AouidateAdib GhalebTahar Lakhlifi Original Research 28 March 2018 Article: 5
Sulfonamide derivatives as Mycobacterium tuberculosis inhibitors: in silico approach Sayantan PradhanChittaranjan Sinha Original Research 22 March 2018 Article: 4
Molecular docking and ADME properties of bioactive molecules against human acid-beta-glucosidase enzyme, cause of Gaucher’s disease Vijayakumar SubramaniyanSathiya MathiyalaganParameswari Nallasamy Original Research 12 March 2018 Article: 3
Molecular modeling of inhibitors against fructose bisphosphate aldolase from Candida albicans Andréia Lima de AmorimAlan Vitor Morais de LimaLorane Izabel da Silva Hage-Melim Original Research 09 March 2018 Article: 2
In silico quest of selective naphthyl-based CREBBP bromodomain inhibitor Raju DashSarmistha MitraS. M. Zahid Hosen Original Research 08 March 2018 Article: 1
