Evidence map›Paper›PMID 39285513›Full record

ArticleBriefings in bioinformatics2024

AI-based IsAb2.0 for antibody design.

Tianjian Liang, Ze-Yu Sun, Margaret G Hines, Kerri Jo Penrose, Yixuan Hao, Xiaojie Chu, John W Mellors, Dimiter S Dimitrov, Xiang-Qun Xie, Wei Li and 1 more

Abstract read
In one paragraph

Article in Briefings in bioinformatics, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

5 citing papers in PubMed.

  1. Article
  2. Review
  3. Review
  4. Article
  5. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

11 authors.

Tianjian LiangDepartment of Pharmaceutical Sciences, Computational Chemical Genomics Screening Center, Pharmacometrics & System Pharmacology PharmacoAnalytics, School of Pharmacy, University of Pittsburgh, 335 Sutherland Drive, Pittsburgh, PA 15261, United States.
Ze-Yu SunDepartment of Pharmaceutical Sciences, Computational Chemical Genomics Screening Center, Pharmacometrics & System Pharmacology PharmacoAnalytics, School of Pharmacy, University of Pittsburgh, 335 Sutherland Drive, Pittsburgh, PA 15261, United States.ORCID 0009-0002-3227-8923
Margaret G HinesDivision of Infectious Diseases, Department of Medicine, Center for Antibody Therapeutics, School of Medicine, University of Pittsburgh, 3550 Terrace Street, Pittsburgh, PA, United States.
Kerri Jo PenroseDivision of Infectious Diseases, Department of Medicine, Center for AIDS Research, School of Medicine, University of Pittsburgh, 3550 Terrace Street, Pittsburgh, PA, United States.
Yixuan HaoDepartment of Pharmaceutical Sciences, Computational Chemical Genomics Screening Center, Pharmacometrics & System Pharmacology PharmacoAnalytics, School of Pharmacy, University of Pittsburgh, 335 Sutherland Drive, Pittsburgh, PA 15261, United States.
Xiaojie ChuDivision of Infectious Diseases, Department of Medicine, Center for Antibody Therapeutics, School of Medicine, University of Pittsburgh, 3550 Terrace Street, Pittsburgh, PA, United States.
John W MellorsDivision of Infectious Diseases, Department of Medicine, Center for Antibody Therapeutics, School of Medicine, University of Pittsburgh, 3550 Terrace Street, Pittsburgh, PA, United States.
Dimiter S DimitrovDivision of Infectious Diseases, Department of Medicine, Center for Antibody Therapeutics, School of Medicine, University of Pittsburgh, 3550 Terrace Street, Pittsburgh, PA, United States.
Xiang-Qun XieDepartment of Pharmaceutical Sciences, Computational Chemical Genomics Screening Center, Pharmacometrics & System Pharmacology PharmacoAnalytics, School of Pharmacy, University of Pittsburgh, 335 Sutherland Drive, Pittsburgh, PA 15261, United States.
Wei LiDivision of Infectious Diseases, Department of Medicine, Center for Antibody Therapeutics, School of Medicine, University of Pittsburgh, 3550 Terrace Street, Pittsburgh, PA, United States.
Zhiwei FengDepartment of Pharmaceutical Sciences, Computational Chemical Genomics Screening Center, Pharmacometrics & System Pharmacology PharmacoAnalytics, School of Pharmacy, University of Pittsburgh, 335 Sutherland Drive, Pittsburgh, PA 15261, United States.ORCID 0000-0001-6533-8932

Funding

REACH: Research Enterprise to Advance a Cure for HIVUM1AI164565 · NIAID · WEILL MEDICAL COLL OF CORNELL UNIV · PI Marina Caskey, R. Brad Jones · 2021 to 2026
$32.9M
NIDA Center of Excellence OF Computational Drug Abuse Research (CDAR)P30DA035778 · NIDA · UNIVERSITY OF PITTSBURGH AT PITTSBURGH · PI BAHAR, IVET, XIE, XIANG-QUN · 2014 to 2018
$5.4M
Cannabinoid CB2 Receptor Structure and Allosteric ModulatorsR01DA052329 · NIDA · UNIVERSITY OF PITTSBURGH AT PITTSBURGH · PI XIE, XIANG-QUN, ZHANG, CHENG · 2021 to 2024
$2.5M
I4C 2.0: Immunotherapy for Cure 1UM1AI164556NIAID NIH HHS UM1 AI164565NIDA NIH HHS P30 DA035778NIDA NIH HHS R01 DA052329
6 · The paper itself

Abstract

Therapeutic antibody design has garnered widespread attention, highlighting its interdisciplinary importance. Advancements in technology emphasize the critical role of designing nanobodies and humanized antibodies in antibody engineering. However, current experimental methods are costly and time-consuming. Computational approaches, while progressing, faced limitations due to insufficient structural data and the absence of a standardized protocol. To tackle these challenges, our lab previously developed IsAb1.0, an in silico antibody design protocol. Yet, IsAb1.0 lacked accuracy, had a complex procedure, and required extensive antibody bioinformation. Moreover, it overlooked nanobody and humanized antibody design, hindering therapeutic antibody development. Building upon IsAb1.0, we enhanced our design protocol with artificial intelligence methods to create IsAb2.0. IsAb2.0 utilized AlphaFold-Multimer (2.3/3.0) for accurate modeling and complex construction without templates and employed the precise FlexddG method for in silico antibody optimization. Validated through optimization of a humanized nanobody J3 (HuJ3) targeting HIV-1 gp120, IsAb2.0 predicted five mutations that can improve HuJ3-gp120 binding affinity. These predictions were confirmed by commercial software and validated through binding and neutralization assays. IsAb2.0 streamlined antibody design, offering insights into future techniques to accelerate immunotherapy development.

Indexed as

Artificial IntelligenceProtein EngineeringComputer SimulationDrug DesignHIV Envelope Protein gp120HumansSingle-Domain AntibodiesHIV Envelope Protein gp120Single-Domain AntibodiesAlphaFold-Multimerantibody designdeep learningHIV-1 nanobodyhumanized antibodyIsAb

Identifiers

PMID39285513
PMCPMC11405125

What OpenQuestion holds

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LicenceCC BY-NC
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.